methyl 4-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[oxo-[[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[[5-(allylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid methyl ester Formula: C14H13N3O3S2 MolecularWeight: 335.40132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3S2/c1-3-8-21-14-17-16-13(22-14)15-11(18)9-4-6-10(7-5-9)12(19)20-2/h3-7H,1,8H2,2H3,(H,15,16,18)