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

Systemtic Name: 2-[[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-(2-ethoxy-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid CAS Name: 2-[[[2-[(2-ethoxy-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-(2-ethoxy-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-[(2-ethoxy-2-keto-ethyl)thio]-1,3-benzothiazol-6-yl]carbamoyl]benzoic acid Formula: C19H16N2O5S2 MolecularWeight: 416.47074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O5S2/c1-2-26-16(22)10-27-19-21-14-8-7-11(9-15(14)28-19)20-17(23)12-5-3-4-6-13(12)18(24)25/h3-9H,2,10H2,1H3,(H,20,23)(H,24,25)