4-oxidanylidene-2-(7-phenylazanyl-1,3-benzothiazol-2-yl)-4-sulfanyl-butanoic acid

Systemtic Name: 4-oxidanylidene-2-(7-phenylazanyl-1,3-benzothiazol-2-yl)-4-sulfanyl-butanoic acid Openeye Name: 2-(7-anilino-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-(7-anilino-1,3-benzothiazol-2-yl)-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-(7-anilino-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-(7-anilino-1,3-benzothiazol-2-yl)-4-keto-4-mercapto-butyric acid Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=CC3=C2SC(=N3)C(CC(=O)S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=CC3=C2SC(=N3)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C17H14N2O3S2/c20-14(23)9-11(17(21)22)16-19-13-8-4-7-12(15(13)24-16)18-10-5-2-1-3-6-10/h1-8,11,18H,9H2,(H,20,23)(H,21,22)