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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(1H-indol-3-yl)-1-oxoprop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(1H-indol-3-yl)acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C(=CC2=CNC3=CC=CC=C32)C#N)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)/C(=C/C2=CNC3=CC=CC=C32)/C#N)C(=O)OC

InChI

InChI=1S/C21H19N3O3S/c1-3-6-15-10-17(21(26)27-2)20(28-15)24-19(25)13(11-22)9-14-12-23-18-8-5-4-7-16(14)18/h4-5,7-10,12,23H,3,6H2,1-2H3,(H,24,25)/b13-9+