methyl 2-[[(E)-2-cyano-3-[1-(phenylmethyl)indol-3-yl]prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[1-(phenylmethyl)indol-3-yl]prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyano-prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-[1-(phenylmethyl)-3-indolyl]prop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyano-acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C31H23N3O3S MolecularWeight: 517.59762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)C#N

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC5=CC=CC=C5)/C#N

InChI

InChI=1S/C31H23N3O3S/c1-37-31(36)28-26(22-12-6-3-7-13-22)20-38-30(28)33-29(35)23(17-32)16-24-19-34(18-21-10-4-2-5-11-21)27-15-9-8-14-25(24)27/h2-16,19-20H,18H2,1H3,(H,33,35)/b23-16+