[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C19H26N2O3S2 MolecularWeight: 394.55134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C19H26N2O3S2/c1-13(2)7-6-8-14(3)20-17(22)11-24-18(23)12-25-19-21-15-9-4-5-10-16(15)26-19/h4-5,9-10,13-14H,6-8,11-12H2,1-3H3,(H,20,22)