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

Systemtic Name: 2-[[5-[(4-heptoxyphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-heptoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(4-heptoxyphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetate IUPAC Name: 2-[[5-[(4-heptoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-heptoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetate Formula: C18H22N3O4S2- MolecularWeight: 408.51498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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