(phenylmethyl) N-[(2S)-1-(benzotriazol-1-yl)-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(benzotriazol-1-yl)-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(benzotriazol-1-yl)-2-oxo-1-(sulfanylmethyl)ethyl]carbamate CAS Name: N-[(2S)-1-(1-benzotriazolyl)-3-mercapto-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(benzotriazol-1-yl)-1-oxo-3-sulfanylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(benzotriazol-1-yl)-2-keto-1-(mercaptomethyl)ethyl]carbamic acid benzyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CS)C(=O)N2C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@H](CS)C(=O)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H16N4O3S/c22-16(21-15-9-5-4-8-13(15)19-20-21)14(11-25)18-17(23)24-10-12-6-2-1-3-7-12/h1-9,14,25H,10-11H2,(H,18,23)/t14-/m1/s1