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

Systemtic Name: ethyl 1-(diphenylmethyl)sulfanyl-6-methyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-benzhydrylsulfanyl-3-benzoyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-[(diphenylmethyl)thio]-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzhydrylsulfanyl-3-benzoyl-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(benzhydrylthio)-3-benzoyl-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C34H27NO3S2 MolecularWeight: 561.71308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SC(C5=CC=CC=C5)C6=CC=CC=C6)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SC(C5=CC=CC=C5)C6=CC=CC=C6)C

InChI

InChI=1S/C34H27NO3S2/c1-3-38-33(37)27-26-21-22(2)19-20-35(26)29-28(27)32(30(36)23-13-7-4-8-14-23)40-34(29)39-31(24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-21,31H,3H2,1-2H3