[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C27H26N2O3S/c30-26(29(18-21-10-3-1-4-11-21)19-22-12-5-2-6-13-22)20-32-27(31)17-9-16-25-28-23-14-7-8-15-24(23)33-25/h1-8,10-15H,9,16-20H2