[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl] ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=NC(=CS2)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NC2=NC(=CS2)C

InChI

InChI=1S/C14H13N3O5S/c1-8-4-3-5-10(12(8)17(20)21)13(19)22-6-11(18)16-14-15-9(2)7-23-14/h3-5,7H,6H2,1-2H3,(H,15,16,18)