(phenylmethyl) N-[(2S)-1-(benzotriazol-1-yl)-1-oxidanylidene-4-sulfanyl-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(benzotriazol-1-yl)-1-oxidanylidene-4-sulfanyl-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(benzotriazole-1-carbonyl)-3-sulfanyl-propyl]carbamate CAS Name: N-[(2S)-1-(1-benzotriazolyl)-4-mercapto-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(benzotriazol-1-yl)-1-oxo-4-sulfanylbutan-2-yl]carbamate Traditional Name: N-[(1S)-1-(benzotriazole-1-carbonyl)-3-mercapto-propyl]carbamic acid benzyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c23-17(22-16-9-5-4-8-14(16)20-21-22)15(10-11-26)19-18(24)25-12-13-6-2-1-3-7-13/h1-9,15,26H,10-12H2,(H,19,24)/t15-/m0/s1