ethyl 3-(4-bromophenyl)carbonyl-6-methyl-1-sulfanyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-6-methyl-1-sulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-6-methyl-1-sulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-mercapto-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-6-methyl-1-sulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-mercapto-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C21H16BrNO3S2 MolecularWeight: 474.39064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)S)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)S)C

InChI

InChI=1S/C21H16BrNO3S2/c1-3-26-20(25)15-14-10-11(2)8-9-23(14)17-16(15)19(28-21(17)27)18(24)12-4-6-13(22)7-5-12/h4-10,27H,3H2,1-2H3