ethyl 3-(4-chlorophenyl)carbonyl-1-cyclohex-2-en-1-ylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)carbonyl-1-cyclohex-2-en-1-ylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-chlorobenzoyl)-1-cyclohex-2-en-1-ylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-1-(1-cyclohex-2-enylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-1-cyclohex-2-en-1-ylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-chlorobenzoyl)-1-(cyclohex-2-en-1-ylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C26H22ClNO3S2 MolecularWeight: 496.04078

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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)Cl)SC5CCCC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClNO3S2/c1-2-31-25(30)20-19-10-6-7-15-28(19)22-21(20)24(23(29)16-11-13-17(27)14-12-16)33-26(22)32-18-8-4-3-5-9-18/h4,6-8,10-15,18H,2-3,5,9H2,1H3