methyl 4-[[(2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoyl]oxymethyl]benzoate CAS Name: 4-[[(2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoyl]oxymethyl]benzoate Traditional Name: 4-[[(2R)-4-(methylthio)-2-(m-toluoylamino)butanoyl]oxymethyl]benzoic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)OCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H25NO5S/c1-15-5-4-6-18(13-15)20(24)23-19(11-12-29-3)22(26)28-14-16-7-9-17(10-8-16)21(25)27-2/h4-10,13,19H,11-12,14H2,1-3H3,(H,23,24)/t19-/m1/s1