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

Systemtic Name: ethyl 2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3-(2-butoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-butoxyphenyl)prop-2-enoylamino]-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[3-(2-butoxyphenyl)acryloyl]amino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H28ClNO4S MolecularWeight: 498.03352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Cl)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Cl)C(=O)OCC

InChI

InChI=1S/C27H28ClNO4S/c1-4-6-17-33-22-10-8-7-9-19(22)13-16-23(30)29-26-25(27(31)32-5-2)24(18(3)34-26)20-11-14-21(28)15-12-20/h7-16H,4-6,17H2,1-3H3,(H,29,30)