2-[[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-[[2-(dimethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[[2-(dimethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CN(C)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H17N3O4S2/c1-22(2)16(23)10-27-19-21-14-8-7-11(9-15(14)28-19)20-17(24)12-5-3-4-6-13(12)18(25)26/h3-9H,10H2,1-2H3,(H,20,24)(H,25,26)