ethyl 2-[[(E)-3-(2-chlorophenyl)-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(2-chlorophenyl)-2-cyano-prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(2-chlorophenyl)-2-cyano-prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(2-chlorophenyl)-2-cyano-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(2-chlorophenyl)-2-cyanoprop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(2-chlorophenyl)-2-cyano-acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C(=CC2=CC=CC=C2Cl)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)/C(=C/C2=CC=CC=C2Cl)/C#N

InChI

InChI=1S/C20H19ClN2O3S/c1-4-26-20(25)15-10-17(12(2)3)27-19(15)23-18(24)14(11-22)9-13-7-5-6-8-16(13)21/h5-10,12H,4H2,1-3H3,(H,23,24)/b14-9+