2-oxidanylidene-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-oxidanylidene-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-oxo-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-oxo-5-phenoxy-4-(propylthio)-3H-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-oxo-5-phenoxy-4-propylsulfanyl-3H-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-keto-5-phenoxy-4-(propylthio)-3H-1,3-benzothiazole-6-carboxylic acid Formula: C17H15NO4S2 MolecularWeight: 361.4353

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=CC2=C1NC(=O)S2)C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CCCSC1=C(C(=CC2=C1NC(=O)S2)C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C17H15NO4S2/c1-2-8-23-15-13-12(24-17(21)18-13)9-11(16(19)20)14(15)22-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,18,21)(H,19,20)