ethyl 3-(4-bromophenyl)carbonyl-1-[(2-methylnaphthalen-1-yl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-[(2-methylnaphthalen-1-yl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-[(2-methyl-1-naphthyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-[(2-methyl-1-naphthalenyl)methylthio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-[(2-methylnaphthalen-1-yl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-[(2-methyl-1-naphthyl)methylthio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C32H24BrNO3S2 MolecularWeight: 614.57186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)SCC5=C(C=CC6=CC=CC=C65)C

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)SCC5=C(C=CC6=CC=CC=C65)C

InChI

InChI=1S/C32H24BrNO3S2/c1-3-37-31(36)26-25-10-6-7-17-34(25)28-27(26)30(29(35)21-13-15-22(33)16-14-21)39-32(28)38-18-24-19(2)11-12-20-8-4-5-9-23(20)24/h4-17H,3,18H2,1-2H3