[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CSC2=CC=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CSC2=CC=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO6S/c1-12-3-4-13(9-16(12)19(22)23)17(20)10-25-18(21)11-26-15-7-5-14(24-2)6-8-15/h3-9H,10-11H2,1-2H3