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

Systemtic Name: 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H16N2O4S2/c1-2-24-13-6-7-14-15(9-13)26-18(20-14)25-10-16(21)19-12-5-3-4-11(8-12)17(22)23/h3-9H,2,10H2,1H3,(H,19,21)(H,22,23)