propan-2-yl 4-cyano-3-methyl-5-[2-(4-nitrophenyl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-3-methyl-5-[2-(4-nitrophenyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-(4-nitrophenyl)acetyl]amino]thiophene-2-carboxylic acid isopropyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C18H17N3O5S/c1-10(2)26-18(23)16-11(3)14(9-19)17(27-16)20-15(22)8-12-4-6-13(7-5-12)21(24)25/h4-7,10H,8H2,1-3H3,(H,20,22)