[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-acetamido-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-acetamido-4-thiophen-2-yl-3-thiophenecarboxylic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-acetamido-4-(2-thienyl)thiophene-3-carboxylic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C20H17N3O6S2 MolecularWeight: 459.49548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=C(SC=C2C3=CC=CS3)NC(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)C2=C(SC=C2C3=CC=CS3)NC(=O)C

InChI

InChI=1S/C20H17N3O6S2/c1-11-14(5-3-6-15(11)23(27)28)22-17(25)9-29-20(26)18-13(16-7-4-8-30-16)10-31-19(18)21-12(2)24/h3-8,10H,9H2,1-2H3,(H,21,24)(H,22,25)