methyl 5-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[(E)-3-(3-chlorophenyl)acryloyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC(=CC=C2)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)/C=C/C2=CC(=CC=C2)Cl)C(=O)OC

InChI

InChI=1S/C17H13ClN2O3S/c1-10-13(9-19)16(24-15(10)17(22)23-2)20-14(21)7-6-11-4-3-5-12(18)8-11/h3-8H,1-2H3,(H,20,21)/b7-6+