methyl 4-[3-[3-[(4-methoxycarbonylphenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 4-[3-[3-[(4-methoxycarbonylphenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 4-[3-[3-(4-methoxycarbonylanilino)-3-oxo-propyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[[3-(4-methoxycarbonylanilino)-3-oxopropyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[3-(4-methoxycarbonylanilino)-3-oxopropyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[[3-(4-carbomethoxyanilino)-3-keto-propyl]thio]propanoylamino]benzoic acid methyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCSCCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCSCCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H24N2O6S/c1-29-21(27)15-3-7-17(8-4-15)23-19(25)11-13-31-14-12-20(26)24-18-9-5-16(6-10-18)22(28)30-2/h3-10H,11-14H2,1-2H3,(H,23,25)(H,24,26)