2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethyl 3-methylbutanoate

Systemtic Name: 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethyl 3-methylbutanoate Openeye Name: 2-(2-oxo-1,3-benzothiazol-3-yl)ethyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid 2-(2-oxo-1,3-benzothiazol-3-yl)ethyl ester IUPAC Name: 2-(2-oxo-1,3-benzothiazol-3-yl)ethyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid 2-(2-keto-1,3-benzothiazol-3-yl)ethyl ester Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OCCN1C2=CC=CC=C2SC1=O

Isomeric SMILES

CC(C)CC(=O)OCCN1C2=CC=CC=C2SC1=O

InChI

InChI=1S/C14H17NO3S/c1-10(2)9-13(16)18-8-7-15-11-5-3-4-6-12(11)19-14(15)17/h3-6,10H,7-9H2,1-2H3