ethyl 3-oxidanylidene-2-[[4-(2-phenoxyethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate

Systemtic Name: ethyl 3-oxidanylidene-2-[[4-(2-phenoxyethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Openeye Name: ethyl 3-oxo-2-[[4-(2-phenoxyethyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate CAS Name: 3-oxo-2-[[4-(2-phenoxyethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-2-[[4-(2-phenoxyethyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Traditional Name: 3-keto-2-[[4-(2-phenoxyethyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]butyric acid ethyl ester Formula: C16H18N2O4S3 MolecularWeight: 398.52012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NN(C(=S)S1)CCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(=O)C)SC1=NN(C(=S)S1)CCOC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O4S3/c1-3-21-14(20)13(11(2)19)24-15-17-18(16(23)25-15)9-10-22-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3