[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H20N2O3S2/c1-11(2)7-8-17-14(19)9-21-15(20)10-22-16-18-12-5-3-4-6-13(12)23-16/h3-6,11H,7-10H2,1-2H3,(H,17,19)