methyl 2-[3-[3-[(2-methoxycarbonylphenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[3-[3-[(2-methoxycarbonylphenyl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[3-[3-(2-methoxycarbonylanilino)-3-oxo-propyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[3-[[3-(2-methoxycarbonylanilino)-3-oxopropyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[3-(2-methoxycarbonylanilino)-3-oxopropyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[[3-(2-carbomethoxyanilino)-3-keto-propyl]thio]propanoylamino]benzoic acid methyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCSCCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCSCCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

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