515130-15-1
1H-INDOLE-3-PROPANOIC ACID, ALPHA(1,1-DIOXIDO-2(3H)-ISOTHIAZOLYL)-1, METHYL ESTER, (ALPHAS)
Name
1H-INDOLE-3-PROPANOIC ACID, ALPHA(1,1-DIOXIDO-2(3H)-ISOTHIAZOLYL)-1, METHYL ESTER, (ALPHAS)
Formula
C15 H16 N2 O4 S
MolWeight
320.367
1Identification
【Name】
1H-INDOLE-3-PROPANOIC ACID, ALPHA(1,1-DIOXIDO-2(3H)-ISOTHIAZOLYL)-1, METHYL ESTER, (ALPHAS)
【CAS】
【MDL】
MFCD08460305
【English Synonyms】
【Formula】
C15 H16 N2 O4 S
【MolWeight】
320.367
【Inchi】
InChI=1S/C15H16N2O4S/c1-21-15(18)14(17-7-4-8-22(17,19)20)9-11-10-16-13-6-3-2-5-12(11)13/h2-6,8,10,14,16H,7,9H2,1H3/t14-/m0/s1
【InChIKey】
InChIKey=OOTDVTVUXFRIRN-AWEZNQCLSA-N
【SMILES】
COC(=O)[C@H](Cc1c[nH]c2c1cccc2)N3CC=CS3(=O)=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-3-PROPANOIC ACID, ALPHA(1,1-DIOXIDO-2(3H)-ISOTHIAZOLYL)-1, METHYL ESTER, (ALPHAS).cml
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Catalog No:CS5-W100 500MG
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