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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-3-14(4-2)22-19(24)13-26-21(25)16-10-6-5-9-15(16)20-23-17-11-7-8-12-18(17)27-20/h5-12,14H,3-4,13H2,1-2H3,(H,22,24)