ethyl 2-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[[5-(2-amino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[5-[(2-amino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[5-[(2-amino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C12H13N3O4S3 MolecularWeight: 359.44432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(S2)SCC(=O)N

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NN=C(S2)SCC(=O)N

InChI

InChI=1S/C12H13N3O4S3/c1-2-18-10(17)7-3-4-19-8(7)5-20-11-14-15-12(22-11)21-6-9(13)16/h3-4H,2,5-6H2,1H3,(H2,13,16)