methyl 4,5-dimethoxy-2-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[2-keto-2-(p-toluidino)ethyl]thio]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C21H24N2O6S/c1-13-5-7-14(8-6-13)22-19(24)11-30-12-20(25)23-16-10-18(28-3)17(27-2)9-15(16)21(26)29-4/h5-10H,11-12H2,1-4H3,(H,22,24)(H,23,25)