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

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[3-(3,4-diethoxyphenyl)-1-oxoprop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[[3-(3,4-diethoxyphenyl)acryloyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H28ClNO5S MolecularWeight: 514.03292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Cl)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Cl)C(=O)OCC)OCC

InChI

InChI=1S/C27H28ClNO5S/c1-5-32-21-14-8-18(16-22(21)33-6-2)9-15-23(30)29-26-25(27(31)34-7-3)24(17(4)35-26)19-10-12-20(28)13-11-19/h8-16H,5-7H2,1-4H3,(H,29,30)