[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C17H18N4O6S2 MolecularWeight: 438.47802

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC(=CS2)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NC(=CS2)C

InChI

InChI=1S/C17H18N4O6S2/c1-3-6-18-16(24)20-14(22)8-27-15(23)12-7-11(21(25)26)4-5-13(12)29-17-19-10(2)9-28-17/h4-5,7,9H,3,6,8H2,1-2H3,(H2,18,20,22,24)