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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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