methyl 3-[[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl]thio]methyl]benzoic acid methyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)CSCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C21H25NO3S/c1-16(11-12-17-7-4-3-5-8-17)22-20(23)15-26-14-18-9-6-10-19(13-18)21(24)25-2/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,22,23)/t16-/m1/s1