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

Systemtic Name: ethyl 2-[3-(4-butoxyphenyl)prop-2-enoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-butoxyphenyl)prop-2-enoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-butoxyphenyl)-1-oxoprop-2-enyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-butoxyphenyl)prop-2-enoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-butoxyphenyl)acryloyl]amino]-5-methyl-4-phenyl-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(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

InChI

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