2-[[5-[(3-heptoxyphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(3-heptoxyphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(3-heptoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[[(3-heptoxyphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-[(3-heptoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(3-heptoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC(=O)O

InChI

InChI=1S/C18H23N3O4S2/c1-2-3-4-5-6-10-25-14-9-7-8-13(11-14)16(24)19-17-20-21-18(27-17)26-12-15(22)23/h7-9,11H,2-6,10,12H2,1H3,(H,22,23)(H,19,20,24)