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

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C31H26N2O3S MolecularWeight: 506.61474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C31H26N2O3S/c34-29(33(21-24-13-5-2-6-14-24)20-19-23-11-3-1-4-12-23)22-36-31(35)26-16-8-7-15-25(26)30-32-27-17-9-10-18-28(27)37-30/h1-18H,19-22H2