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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)NC(C)C)[N+](=O)[O-]

InChI

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