4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanoylamino]benzoic acid

Systemtic Name: 4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanoylamino]benzoic acid Openeye Name: 4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanoylamino]benzoic acid CAS Name: 4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanoylamino]benzoic acid Traditional Name: 4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]butanoylamino]benzoic acid Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC3=C(S2)C=C(C=C3)OCC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=NC3=C(S2)C=C(C=C3)OCC

InChI

InChI=1S/C20H20N2O4S2/c1-3-16(18(23)21-13-7-5-12(6-8-13)19(24)25)27-20-22-15-10-9-14(26-4-2)11-17(15)28-20/h5-11,16H,3-4H2,1-2H3,(H,21,23)(H,24,25)