methyl 4-[[5-[(4-methoxyphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-[(4-methoxyphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(4-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(4-methoxyphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(4-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(p-anisoylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H17N3O4S2/c1-25-15-9-7-13(8-10-15)16(23)20-18-21-22-19(28-18)27-11-12-3-5-14(6-4-12)17(24)26-2/h3-10H,11H2,1-2H3,(H,20,21,23)