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

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 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-methoxy-ethyl) ester Formula: C14H12N2O6S2 MolecularWeight: 368.38488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O6S2/c1-8-7-23-14(15-8)24-11-4-3-9(5-10(11)16(19)20)13(18)22-6-12(17)21-2/h3-5,7H,6H2,1-2H3