O-ethyl [(2R)-1-(benzotriazol-1-yl)-5-oxidanylidene-5-phenyl-pentan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [(2R)-1-(benzotriazol-1-yl)-5-oxidanylidene-5-phenyl-pentan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [(1R)-1-(benzotriazol-1-ylmethyl)-4-oxo-4-phenyl-butyl]sulfanylmethanethioate CAS Name: [[(2R)-1-(1-benzotriazolyl)-5-oxo-5-phenylpentan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [(2R)-1-(benzotriazol-1-yl)-5-oxo-5-phenylpentan-2-yl]sulfanylmethanethioate Traditional Name: [[(1R)-1-(benzotriazol-1-ylmethyl)-4-keto-4-phenyl-butyl]thio]methanethioic acid O-ethyl ester Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)C1=CC=CC=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=S)S[C@H](CCC(=O)C1=CC=CC=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H21N3O2S2/c1-2-25-20(26)27-16(12-13-19(24)15-8-4-3-5-9-15)14-23-18-11-7-6-10-17(18)21-22-23/h3-11,16H,2,12-14H2,1H3/t16-/m1/s1