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

Systemtic Name: 3-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]acetyl]amino]-4-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)NC3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O4S2/c1-3-25-13-6-7-14-16(9-13)27-19(21-14)26-10-17(22)20-15-8-12(18(23)24)5-4-11(15)2/h4-9H,3,10H2,1-2H3,(H,20,22)(H,23,24)