BENZOIC ACID, 4-(6-BROMO-2-(((1-CARBOXYETHYL)THIO)METHYL)-4-OXO-3(4H)-QUINAZOLINYL)-, 1-ETHYL ESTER

CAS No.
155104-15-7
CCD No.
CCD00252720
Formula
C21 H19 Br N2 O5 S
MolWeight
491.36

Basic Information

Product Name: BENZOIC ACID, 4-(6-BROMO-2-(((1-CARBOXYETHYL)THIO)METHYL)-4-OXO-3(4H)-QUINAZOLINYL)-, 1-ETHYL ESTER
CAS: 155104-15-7
English Synonyms: BENZOIC ACID, 4-(6-BROMO-2-(((1-CARBOXYETHYL)THIO)METHYL)-4-OXO-3(4H)-QUINAZOLINYL)-, 1-ETHYL ESTER
MDL Number.: MFCD01762461
H bond acceptor: 7
H bond donor: 1
Smile: CCOC(=O)c1ccc(cc1)n2c(nc3ccc(cc3c2=O)Br)CSC(C)C(=O)O
InChi: InChI=1S/C21H19BrN2O5S/c1-3-29-21(28)13-4-7-15(8-5-13)24-18(11-30-12(2)20(26)27)23-17-9-6-14(22)10-16(17)19(24)25/h4-10,12H,3,11H2,1-2H3,(H,26,27)
InChiKey: InChIKey=JEHGFYAIUBBVRA-UHFFFAOYSA-N

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