ethyl 1-cyclohex-2-en-1-ylsulfanyl-6-methyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 1-cyclohex-2-en-1-ylsulfanyl-6-methyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-cyclohex-2-en-1-ylsulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-(1-cyclohex-2-enylthio)-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-cyclohex-2-en-1-ylsulfanyl-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-(cyclohex-2-en-1-ylthio)-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C27H25NO3S2 MolecularWeight: 475.6223

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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)SC5CCCC=C5)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SC5CCCC=C5)C

InChI

InChI=1S/C27H25NO3S2/c1-3-31-26(30)21-20-16-17(2)14-15-28(20)23-22(21)25(24(29)18-10-6-4-7-11-18)33-27(23)32-19-12-8-5-9-13-19/h4,6-8,10-12,14-16,19H,3,5,9,13H2,1-2H3