ethyl 3-[1,2-dicyano-2-(2-ethoxycarbonyl-1H-indol-3-yl)ethyl]-1-(phenylsulfonyl)indole-2-carboxylate

Systemtic Name: ethyl 3-[1,2-dicyano-2-(2-ethoxycarbonyl-1H-indol-3-yl)ethyl]-1-(phenylsulfonyl)indole-2-carboxylate Openeye Name: ethyl 1-(benzenesulfonyl)-3-[1,2-dicyano-2-(2-ethoxycarbonyl-1H-indol-3-yl)ethyl]indole-2-carboxylate CAS Name: 1-(benzenesulfonyl)-3-[1,2-dicyano-2-(2-ethoxycarbonyl-1H-indol-3-yl)ethyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzenesulfonyl)-3-[1,2-dicyano-2-(2-ethoxycarbonyl-1H-indol-3-yl)ethyl]indole-2-carboxylate Traditional Name: 1-besyl-3-[2-(2-carbethoxy-1H-indol-3-yl)-1,2-dicyano-ethyl]indole-2-carboxylic acid ethyl ester Formula: C32H26N4O6S MolecularWeight: 594.63704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)C(C#N)C(C#N)C3=C(N(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)C(C#N)C(C#N)C3=C(N(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)C(=O)OCC

InChI

InChI=1S/C32H26N4O6S/c1-3-41-31(37)29-27(21-14-8-10-16-25(21)35-29)23(18-33)24(19-34)28-22-15-9-11-17-26(22)36(30(28)32(38)42-4-2)43(39,40)20-12-6-5-7-13-20/h5-17,23-24,35H,3-4H2,1-2H3