[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C(C)NC(=O)COC(=O)C1=CC=CC=C1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c1-13(2)14(3)22-19(24)12-26-21(25)16-9-5-4-8-15(16)20-23-17-10-6-7-11-18(17)27-20/h4-11,13-14H,12H2,1-3H3,(H,22,24)