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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-benzyloxy-3-methoxy-phenyl)prop-2-enoylamino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[3-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-benzoxy-3-methoxy-phenyl)acryloyl]amino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H28ClNO5S MolecularWeight: 562.07572

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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)OC

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)OC

InChI

InChI=1S/C31H28ClNO5S/c1-4-37-31(35)29-28(23-12-14-24(32)15-13-23)20(2)39-30(29)33-27(34)17-11-21-10-16-25(26(18-21)36-3)38-19-22-8-6-5-7-9-22/h5-18H,4,19H2,1-3H3,(H,33,34)