ethyl 2-[[2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-cyano-3-(4-isopropylphenyl)prop-2-enoyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-cyano-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-5-methyl-4-(4-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-cyano-3-p-cumenyl-acryloyl)amino]-5-methyl-4-(4-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H25N3O5S MolecularWeight: 503.5695

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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(C)C)C#N

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(C)C)C#N

InChI

InChI=1S/C27H25N3O5S/c1-5-35-27(32)24-23(20-10-12-22(13-11-20)30(33)34)17(4)36-26(24)29-25(31)21(15-28)14-18-6-8-19(9-7-18)16(2)3/h6-14,16H,5H2,1-4H3,(H,29,31)