[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H18N2O5S/c1-4-14-10(2)8-15(25-14)17(21)24-11(3)16(20)18-12-6-5-7-13(9-12)19(22)23/h5-9,11H,4H2,1-3H3,(H,18,20)