ethyl 5-[4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-cyano-2-oxidanylidene-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-cyano-2-oxo-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[4-[1-[(2-chlorophenyl)methyl]-3-indolyl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[1-[(2-chlorophenyl)methyl]indol-3-yl]-3-cyano-2-oxobut-3-enyl]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[4-[1-(2-chlorobenzyl)indol-3-yl]-3-cyano-2-keto-but-3-enyl]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C29H22ClN3O3S MolecularWeight: 528.02128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4Cl)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4Cl)C#N)C#N)C

InChI

InChI=1S/C29H22ClN3O3S/c1-3-36-29(35)28-18(2)23(15-32)27(37-28)13-26(34)20(14-31)12-21-17-33(25-11-7-5-9-22(21)25)16-19-8-4-6-10-24(19)30/h4-12,17H,3,13,16H2,1-2H3