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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-cyano-1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-cyano-3-(4-propoxyphenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-cyano-3-(4-propoxyphenyl)acryloyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H25ClN2O4S MolecularWeight: 509.0164

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C27H25ClN2O4S/c1-4-14-34-22-12-6-18(7-13-22)15-20(16-29)25(31)30-26-24(27(32)33-5-2)23(17(3)35-26)19-8-10-21(28)11-9-19/h6-13,15H,4-5,14H2,1-3H3,(H,30,31)