methyl 4-[[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[(1S)-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[(1S)-2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[(1S)-2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl]thio]methyl]benzoic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O4S/c1-14-12-18(23-27-14)22-20(24)19(16-6-4-3-5-7-16)28-13-15-8-10-17(11-9-15)21(25)26-2/h3-12,19H,13H2,1-2H3,(H,22,23,24)/t19-/m0/s1