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

Systemtic Name: ethyl 6-methyl-1-phenethylsulfanyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-6-methyl-1-phenethylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-6-methyl-1-(phenethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-6-methyl-1-phenethylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-6-methyl-1-(phenethylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C29H25NO3S2 MolecularWeight: 499.6437

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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)SCCC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SCCC5=CC=CC=C5)C

InChI

InChI=1S/C29H25NO3S2/c1-3-33-28(32)23-22-18-19(2)14-16-30(22)25-24(23)27(26(31)21-12-8-5-9-13-21)35-29(25)34-17-15-20-10-6-4-7-11-20/h4-14,16,18H,3,15,17H2,1-2H3