3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2,2-bis(phenylmethyl)-4-sulfanyl-butanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2,2-bis(phenylmethyl)-4-sulfanyl-butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-2,2-dibenzyl-4-oxo-4-sulfanyl-butanoic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-4-mercapto-4-oxo-2,2-bis(phenylmethyl)butanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2,2-dibenzyl-4-oxo-4-sulfanylbutanoic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-2,2-dibenzyl-4-keto-4-mercapto-butyric acid Formula: C25H21NO3S2 MolecularWeight: 447.56914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C(C3=NC4=CC=CC=C4S3)C(=O)S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C(C3=NC4=CC=CC=C4S3)C(=O)S)C(=O)O

InChI

InChI=1S/C25H21NO3S2/c27-23(30)21(22-26-19-13-7-8-14-20(19)31-22)25(24(28)29,15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14,21H,15-16H2,(H,27,30)(H,28,29)