[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-methyl-2-thiophenecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-methyl-thiophene-2-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H17NO5S/c1-4-12-8-16(24-11(12)3)17(20)23-9-15(19)13-6-5-10(2)14(7-13)18(21)22/h5-8H,4,9H2,1-3H3