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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[3-(2-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[3-(2-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-3-(2-propoxyphenyl)prop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[3-(2-propoxyphenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[3-(2-propoxyphenyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC=C1C=CC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C26H27NO4S/c1-4-17-31-21-14-10-9-11-19(21)15-16-22(28)27-25-24(26(29)30-5-2)23(18(3)32-25)20-12-7-6-8-13-20/h6-16H,4-5,17H2,1-3H3,(H,27,28)