4-oxidanylidene-2-[7-(phenylmethyl)-1,3-benzothiazol-2-yl]-4-sulfanyl-butanoic acid

Systemtic Name: 4-oxidanylidene-2-[7-(phenylmethyl)-1,3-benzothiazol-2-yl]-4-sulfanyl-butanoic acid Openeye Name: 2-(7-benzyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-4-oxo-2-[7-(phenylmethyl)-1,3-benzothiazol-2-yl]butanoic acid IUPAC Name: 2-(7-benzyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(7-benzyl-1,3-benzothiazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C18H15NO3S2 MolecularWeight: 357.4466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C3C(=CC=C2)N=C(S3)C(CC(=O)S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C3C(=CC=C2)N=C(S3)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C18H15NO3S2/c20-15(23)10-13(18(21)22)17-19-14-8-4-7-12(16(14)24-17)9-11-5-2-1-3-6-11/h1-8,13H,9-10H2,(H,20,23)(H,21,22)