ethyl 1-methylsulfanyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 1-methylsulfanyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-methylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-(methylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-methylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-(methylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C21H17NO3S2 MolecularWeight: 395.49458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO3S2/c1-3-25-20(24)15-14-11-7-8-12-22(14)17-16(15)19(27-21(17)26-2)18(23)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3