[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c24-19(22-14-16-8-2-1-3-9-16)15-26-21(25)13-7-6-12-20-23-17-10-4-5-11-18(17)27-20/h1-5,8-11H,6-7,12-15H2,(H,22,24)