ethyl 2-[3-(4-butoxyphenyl)prop-2-enoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-butoxyphenyl)prop-2-enoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-butoxyphenyl)prop-2-enoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-butoxyphenyl)prop-2-enoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(4-butoxyphenyl)acryloyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C27H29NO4S/c1-4-6-17-32-22-14-9-20(10-15-22)11-16-24(29)28-26-25(27(30)31-5-2)23(18-33-26)21-12-7-19(3)8-13-21/h7-16,18H,4-6,17H2,1-3H3,(H,28,29)