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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5S/c1-2-29-22(26)20-18(16-8-4-3-5-9-16)14-30-21(20)23-19(25)12-11-15-7-6-10-17(13-15)24(27)28/h3-14H,2H2,1H3,(H,23,25)