[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CNC(=O)C(C)OC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H22N2O3S/c1-11(2)10-18-17(21)12(3)22-16(20)9-8-15-19-13-6-4-5-7-14(13)23-15/h4-7,11-12H,8-10H2,1-3H3,(H,18,21)