4-cyano-5-[[(E)-2-cyano-3-[1-(phenylmethyl)indol-3-yl]prop-2-enoyl]amino]-N-ethyl-3-methyl-thiophene-2-carboxamide

Systemtic Name: 4-cyano-5-[[(E)-2-cyano-3-[1-(phenylmethyl)indol-3-yl]prop-2-enoyl]amino]-N-ethyl-3-methyl-thiophene-2-carboxamide Openeye Name: 5-[[(E)-3-(1-benzylindol-3-yl)-2-cyano-prop-2-enoyl]amino]-4-cyano-N-ethyl-3-methyl-thiophene-2-carboxamide CAS Name: 4-cyano-5-[[(E)-2-cyano-1-oxo-3-[1-(phenylmethyl)-3-indolyl]prop-2-enyl]amino]-N-ethyl-3-methyl-2-thiophenecarboxamide IUPAC Name: 5-[[(E)-3-(1-benzylindol-3-yl)-2-cyanoprop-2-enoyl]amino]-4-cyano-N-ethyl-3-methylthiophene-2-carboxamide Traditional Name: 5-[[(E)-3-(1-benzylindol-3-yl)-2-cyano-acryloyl]amino]-4-cyano-N-ethyl-3-methyl-thiophene-2-carboxamide Formula: C28H23N5O2S MolecularWeight: 493.57952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23N5O2S/c1-3-31-27(35)25-18(2)23(15-30)28(36-25)32-26(34)20(14-29)13-21-17-33(16-19-9-5-4-6-10-19)24-12-8-7-11-22(21)24/h4-13,17H,3,16H2,1-2H3,(H,31,35)(H,32,34)/b20-13+