4-[[5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[5-[(2-ethoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(o-phenetidino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H17N3O3S2/c1-2-24-15-6-4-3-5-14(15)19-17-20-21-18(26-17)25-11-12-7-9-13(10-8-12)16(22)23/h3-10H,2,11H2,1H3,(H,19,20)(H,22,23)