712305-93-6
BENZOIC ACID,4-[(2-THIENYLCARBONYL)AMINO]-,2-(DIETHYLAMINO)ETHYL ESTER
Name
BENZOIC ACID,4-[(2-THIENYLCARBONYL)AMINO]-,2-(DIETHYLAMINO)ETHYL ESTER
Formula
C18 H22 N2 O3 S
MolWeight
346.449
1Identification
【Name】
BENZOIC ACID,4-[(2-THIENYLCARBONYL)AMINO]-,2-(DIETHYLAMINO)ETHYL ESTER
【CAS】
【MDL】
MFCD01037137
【English Synonyms】
【Formula】
C18 H22 N2 O3 S
【MolWeight】
346.449
【Inchi】
InChI=1S/C18H22N2O3S/c1-3-20(4-2)11-12-23-18(22)14-7-9-15(10-8-14)19-17(21)16-6-5-13-24-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,21)
【InChIKey】
InChIKey=OXCGXXXRSQRTRD-UHFFFAOYSA-N
【SMILES】
CCN(CC)CCOC(=O)c1ccc(cc1)NC(=O)c2cccs2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZOIC ACID,4-[(2-THIENYLCARBONYL)AMINO]-,2-(DIETHYLAMINO)ETHYL ESTER.cml
Quick Release
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