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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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