methyl 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-nitro-benzoate

Systemtic Name: methyl 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-3-nitro-benzoate Openeye Name: methyl 4-(2-ethoxy-2-oxo-ethyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(2-ethoxy-2-oxoethyl)thio]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-ethoxy-2-oxoethyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(2-ethoxy-2-keto-ethyl)thio]-3-nitro-benzoic acid methyl ester Formula: C12H13NO6S MolecularWeight: 299.29972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO6S/c1-3-19-11(14)7-20-10-5-4-8(12(15)18-2)6-9(10)13(16)17/h4-6H,3,7H2,1-2H3