methyl 2-[[4-[3-(4-methoxyphenyl)sulfanylpropanoylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[3-(4-methoxyphenyl)sulfanylpropanoylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[3-(4-methoxyphenyl)sulfanylpropanoylamino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[3-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(4-methoxyphenyl)sulfanylpropanoylamino]benzoyl]amino]acetate Traditional Name: 2-[[4-[3-[(4-methoxyphenyl)thio]propanoylamino]benzoyl]amino]acetic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC

InChI

InChI=1S/C20H22N2O5S/c1-26-16-7-9-17(10-8-16)28-12-11-18(23)22-15-5-3-14(4-6-15)20(25)21-13-19(24)27-2/h3-10H,11-13H2,1-2H3,(H,21,25)(H,22,23)