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

Systemtic Name: methyl 4-(4-methylphenyl)-2-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[3-(3-nitrophenyl)prop-2-enoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 2-[[3-(3-nitrophenyl)acryloyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O5S/c1-14-6-9-16(10-7-14)18-13-30-21(20(18)22(26)29-2)23-19(25)11-8-15-4-3-5-17(12-15)24(27)28/h3-13H,1-2H3,(H,23,25)