[(2R)-4-(benzotriazol-1-yl)-2-ethoxycarbothioylsulfanyl-butyl] ethanoate

Systemtic Name: [(2R)-4-(benzotriazol-1-yl)-2-ethoxycarbothioylsulfanyl-butyl] ethanoate Openeye Name: [(2R)-4-(benzotriazol-1-yl)-2-ethoxycarbothioylsulfanyl-butyl] acetate CAS Name: acetic acid [(2R)-4-(1-benzotriazolyl)-2-[[ethoxy(sulfanylidene)methyl]thio]butyl] ester IUPAC Name: [(2R)-4-(benzotriazol-1-yl)-2-ethoxycarbothioylsulfanylbutyl] acetate Traditional Name: acetic acid [(2R)-4-(benzotriazol-1-yl)-2-(ethoxycarbothioylthio)butyl] ester Formula: C15H19N3O3S2 MolecularWeight: 353.45966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S2/c1-3-20-15(22)23-12(10-21-11(2)19)8-9-18-14-7-5-4-6-13(14)16-17-18/h4-7,12H,3,8-10H2,1-2H3/t12-/m1/s1