[(4R)-6-(benzotriazol-1-yl)-4-ethoxycarbothioylsulfanyl-hexyl] ethanoate

Systemtic Name: [(4R)-6-(benzotriazol-1-yl)-4-ethoxycarbothioylsulfanyl-hexyl] ethanoate Openeye Name: [(4R)-6-(benzotriazol-1-yl)-4-ethoxycarbothioylsulfanyl-hexyl] acetate CAS Name: acetic acid [(4R)-6-(1-benzotriazolyl)-4-[[ethoxy(sulfanylidene)methyl]thio]hexyl] ester IUPAC Name: [(4R)-6-(benzotriazol-1-yl)-4-ethoxycarbothioylsulfanylhexyl] acetate Traditional Name: acetic acid [(4R)-6-(benzotriazol-1-yl)-4-(ethoxycarbothioylthio)hexyl] ester Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCCOC(=O)C)CCN1C2=CC=CC=C2N=N1

Isomeric SMILES

CCOC(=S)S[C@H](CCCOC(=O)C)CCN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C17H23N3O3S2/c1-3-22-17(24)25-14(7-6-12-23-13(2)21)10-11-20-16-9-5-4-8-15(16)18-19-20/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3/t14-/m1/s1