methyl 4-[(E)-3-oxidanylidene-3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-[[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]amino]prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)amino]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[[5-(allylthio)-1,3,4-thiadiazol-2-yl]amino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C16H15N3O3S2 MolecularWeight: 361.4386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3S2/c1-3-10-23-16-19-18-15(24-16)17-13(20)9-6-11-4-7-12(8-5-11)14(21)22-2/h3-9H,1,10H2,2H3,(H,17,18,20)/b9-6+