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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 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-(sec-butylamino)ethyl] ester Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S2/c1-4-10(2)18-15(21)8-25-16(22)13-7-12(20(23)24)5-6-14(13)27-17-19-11(3)9-26-17/h5-7,9-10H,4,8H2,1-3H3,(H,18,21)