methyl 2-[[4-[(2-methylphenyl)carbonylamino]phenyl]methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-[(2-methylphenyl)carbonylamino]phenyl]methylsulfanyl]ethanoate Openeye Name: methyl 2-[[4-[(2-methylbenzoyl)amino]phenyl]methylsulfanyl]acetate CAS Name: 2-[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-methylbenzoyl)amino]phenyl]methylsulfanyl]acetate Traditional Name: 2-[[4-(o-toluoylamino)benzyl]thio]acetic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CSCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CSCC(=O)OC

InChI

InChI=1S/C18H19NO3S/c1-13-5-3-4-6-16(13)18(21)19-15-9-7-14(8-10-15)11-23-12-17(20)22-2/h3-10H,11-12H2,1-2H3,(H,19,21)