methyl 2-[[(E)-2-cyano-3-[1-(phenylmethyl)indol-3-yl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[1-(phenylmethyl)indol-3-yl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyano-prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-[1-(phenylmethyl)-3-indolyl]prop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(1-benzylindol-3-yl)-2-cyano-acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C#N)C(=O)OC

Isomeric SMILES

CC(C)C1=CC(=C(S1)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)/C#N)C(=O)OC

InChI

InChI=1S/C28H25N3O3S/c1-18(2)25-14-23(28(33)34-3)27(35-25)30-26(32)20(15-29)13-21-17-31(16-19-9-5-4-6-10-19)24-12-8-7-11-22(21)24/h4-14,17-18H,16H2,1-3H3,(H,30,32)/b20-13+