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

Systemtic Name: 4-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl]amino]methyl]benzoic acid Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H18N2O4S2/c1-2-25-14-7-8-15-16(9-14)27-19(21-15)26-11-17(22)20-10-12-3-5-13(6-4-12)18(23)24/h3-9H,2,10-11H2,1H3,(H,20,22)(H,23,24)