ethyl 4-(4-chlorophenyl)-5-methyl-2-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-benzyloxyphenyl)prop-2-enoylamino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-methyl-2-[[1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[3-(4-phenylmethoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 2-[[3-(4-benzoxyphenyl)acryloyl]amino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C30H26ClNO4S MolecularWeight: 532.04974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C30H26ClNO4S/c1-3-35-30(34)28-27(23-12-14-24(31)15-13-23)20(2)37-29(28)32-26(33)18-11-21-9-16-25(17-10-21)36-19-22-7-5-4-6-8-22/h4-18H,3,19H2,1-2H3,(H,32,33)