methyl 3-[2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[2-keto-2-(p-anisidino)ethyl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC(=O)NC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSCC(=O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H22N2O5S/c1-13-4-5-14(20(25)27-3)10-17(13)22-19(24)12-28-11-18(23)21-15-6-8-16(26-2)9-7-15/h4-10H,11-12H2,1-3H3,(H,21,23)(H,22,24)