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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[[2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(2-benzyloxyphenyl)-2-cyano-prop-2-enoyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-cyano-1-oxo-3-(2-phenylmethoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-cyano-3-(2-phenylmethoxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[3-(2-benzoxyphenyl)-2-cyano-acryloyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C30H23ClN2O4S MolecularWeight: 543.03262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C(=CC3=CC=CC=C3OCC4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C(=CC3=CC=CC=C3OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C30H23ClN2O4S/c1-2-36-30(35)27-25(21-12-14-24(31)15-13-21)19-38-29(27)33-28(34)23(17-32)16-22-10-6-7-11-26(22)37-18-20-8-4-3-5-9-20/h3-16,19H,2,18H2,1H3,(H,33,34)