(phenylmethyl) N-[(2R)-1-oxidanylidene-1-(pyridin-4-ylmethylamino)-3-sulfanyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2R)-1-oxidanylidene-1-(pyridin-4-ylmethylamino)-3-sulfanyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1R)-2-oxo-2-(4-pyridylmethylamino)-1-(sulfanylmethyl)ethyl]carbamate CAS Name: N-[(2R)-3-mercapto-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2R)-1-oxo-1-(pyridin-4-ylmethylamino)-3-sulfanylpropan-2-yl]carbamate Traditional Name: N-[(1R)-2-keto-1-(mercaptomethyl)-2-(4-pyridylmethylamino)ethyl]carbamic acid benzyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CS)C(=O)NCC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CS)C(=O)NCC2=CC=NC=C2

InChI

InChI=1S/C17H19N3O3S/c21-16(19-10-13-6-8-18-9-7-13)15(12-24)20-17(22)23-11-14-4-2-1-3-5-14/h1-9,15,24H,10-12H2,(H,19,21)(H,20,22)/t15-/m0/s1