methyl 4-[[5-(4-methoxy-4-oxidanylidene-but-2-enyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]but-2-enoate

Systemtic Name: methyl 4-[[5-(4-methoxy-4-oxidanylidene-but-2-enyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]but-2-enoate Openeye Name: methyl 4-[[5-(4-methoxy-4-oxo-but-2-enyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]but-2-enoate CAS Name: 4-[[5-[(4-methoxy-4-oxobut-2-enyl)thio]-1,3,4-thiadiazol-2-yl]thio]-2-butenoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-methoxy-4-oxobut-2-enyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]but-2-enoate Traditional Name: 4-[[5-[(4-keto-4-methoxy-but-2-enyl)thio]-1,3,4-thiadiazol-2-yl]thio]but-2-enoic acid methyl ester Formula: C12H14N2O4S3 MolecularWeight: 346.44556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCSC1=NN=C(S1)SCC=CC(=O)OC

Isomeric SMILES

COC(=O)C=CCSC1=NN=C(S1)SCC=CC(=O)OC

InChI

InChI=1S/C12H14N2O4S3/c1-17-9(15)5-3-7-19-11-13-14-12(21-11)20-8-4-6-10(16)18-2/h3-6H,7-8H2,1-2H3