methyl 4-[[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]benzoate CAS Name: 4-[[[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzoyl]amino]benzoate Traditional Name: 4-[[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]benzoyl]amino]benzoic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3CC3

InChI

InChI=1S/C20H20N2O4S/c1-26-20(25)13-6-8-15(9-7-13)22-19(24)16-4-2-3-5-17(16)27-12-18(23)21-14-10-11-14/h2-9,14H,10-12H2,1H3,(H,21,23)(H,22,24)