ethyl 1-azanyl-2-(4-chlorophenyl)carbonyl-6-methyl-thieno[2,3-b]indolizine-4-carboxylate

Systemtic Name: ethyl 1-azanyl-2-(4-chlorophenyl)carbonyl-6-methyl-thieno[2,3-b]indolizine-4-carboxylate Openeye Name: ethyl 1-amino-2-(4-chlorobenzoyl)-6-methyl-thieno[2,3-b]indolizine-4-carboxylate CAS Name: 1-amino-2-[(4-chlorophenyl)-oxomethyl]-6-methyl-4-thieno[2,3-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-amino-2-(4-chlorobenzoyl)-6-methylthieno[2,3-b]indolizine-4-carboxylate Traditional Name: 1-amino-2-(4-chlorobenzoyl)-6-methyl-thien[2,3-b]indolizine-4-carboxylic acid ethyl ester Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CN2C3=C1SC(=C3N)C(=O)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C1SC(=C3N)C(=O)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H17ClN2O3S/c1-3-27-21(26)15-14-10-11(2)8-9-24(14)17-16(23)20(28-19(15)17)18(25)12-4-6-13(22)7-5-12/h4-10H,3,23H2,1-2H3