2-[(4-phenyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(4-phenyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(4-phenyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(4-phenyl-1,3-benzothiazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(4-phenyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(4-phenyl-1,3-benzothiazol-2-yl)thio]succinic acid Formula: C17H13NO4S2 MolecularWeight: 359.41942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=CC=C2)SC(=N3)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=CC=C2)SC(=N3)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H13NO4S2/c19-14(20)9-13(16(21)22)24-17-18-15-11(7-4-8-12(15)23-17)10-5-2-1-3-6-10/h1-8,13H,9H2,(H,19,20)(H,21,22)