[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S/c22-17(20-12-14-6-2-1-3-7-14)13-24-19(23)11-10-18-21-15-8-4-5-9-16(15)25-18/h1-9H,10-13H2,(H,20,22)