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

Systemtic Name: methyl 2-[[2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-cyano-3-p-phenetyl-acryloyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H22N2O4S/c1-4-31-20-12-10-17(11-13-20)14-19(15-26)23(28)27-24-22(25(29)30-3)21(16(2)32-24)18-8-6-5-7-9-18/h5-14H,4H2,1-3H3,(H,27,28)