ethyl 5-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-(4-nitrophenyl)-2-[3-(p-tolyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[3-(4-methylphenyl)prop-2-enoylamino]-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 5-methyl-4-(4-nitrophenyl)-2-[[3-(p-tolyl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C=CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)[N+](=O)[O-])C)NC(=O)C=CC3=CC=C(C=C3)C

InChI

InChI=1S/C24H22N2O5S/c1-4-31-24(28)22-21(18-10-12-19(13-11-18)26(29)30)16(3)32-23(22)25-20(27)14-9-17-7-5-15(2)6-8-17/h5-14H,4H2,1-3H3,(H,25,27)