[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-methylpentanoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-methylpentanoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-methylpentanoate CAS Name: 2-methylpentanoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-methylpentanoate Traditional Name: 2-methylvaleric acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)OCC(=O)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCC(C)C(=O)OCC(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H18N2O3S/c1-3-6-10(2)14(19)20-9-13(18)17-15-16-11-7-4-5-8-12(11)21-15/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,17,18)