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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S2/c1-3-6-11(2)17-14(19)9-21-15(20)10-22-16-18-12-7-4-5-8-13(12)23-16/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,17,19)