[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OC(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S/c1-13-10-19(23-18-9-4-3-8-17(13)18)30-12-20(25)29-14(2)21(26)22-15-6-5-7-16(11-15)24(27)28/h3-11,14H,12H2,1-2H3,(H,22,26)