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

Systemtic Name: methyl 5-methyl-2-[3-(3-nitrophenyl)prop-2-enoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[3-(3-nitrophenyl)prop-2-enoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[3-(3-nitrophenyl)prop-2-enoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[3-(3-nitrophenyl)acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

InChI

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