ethyl 4-(4-chlorophenyl)-2-[[2-cyano-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[[2-cyano-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[[2-cyano-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[[2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[2-cyano-3-(4-isopropoxy-3-methoxy-phenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C27H25ClN2O5S MolecularWeight: 525.0158

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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(=C(C=C3)OC(C)C)OC)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C(=CC3=CC(=C(C=C3)OC(C)C)OC)C#N

InChI

InChI=1S/C27H25ClN2O5S/c1-5-34-27(32)24-21(18-7-9-20(28)10-8-18)15-36-26(24)30-25(31)19(14-29)12-17-6-11-22(35-16(2)3)23(13-17)33-4/h6-13,15-16H,5H2,1-4H3,(H,30,31)