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

Systemtic Name: methyl 4-[[5-[(2-methoxy-4-methylsulfanyl-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(2-methoxy-4-methylsulfanyl-benzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[[2-methoxy-4-(methylthio)phenyl]-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[[2-methoxy-4-(methylthio)benzoyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C20H19N3O4S3 MolecularWeight: 461.57756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S3/c1-26-16-10-14(28-3)8-9-15(16)17(24)21-19-22-23-20(30-19)29-11-12-4-6-13(7-5-12)18(25)27-2/h4-10H,11H2,1-3H3,(H,21,22,24)