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

Systemtic Name: [2-oxidanylidene-2-(propylamino)ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-oxo-2-(propylamino)ethyl] 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid [2-oxo-2-(propylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propylamino)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-keto-2-(propylamino)ethyl] ester Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S2/c1-3-6-17-14(20)8-24-15(21)11-4-5-13(12(7-11)19(22)23)26-16-18-10(2)9-25-16/h4-5,7,9H,3,6,8H2,1-2H3,(H,17,20)