ethyl (2R)-2-[[5-[(2-methoxy-5-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2R)-2-[[5-[(2-methoxy-5-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl (2R)-2-[[5-(2-methoxy-5-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: (2R)-2-[[5-(2-methoxy-5-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[5-(2-methoxy-5-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: (2R)-3-keto-2-[[5-(2-methoxy-5-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]butyric acid ethyl ester Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SC1=NN=C(S1)NC2=C(C=CC(=C2)C)OC

Isomeric SMILES

CCOC(=O)[C@@H](C(=O)C)SC1=NN=C(S1)NC2=C(C=CC(=C2)C)OC

InChI

InChI=1S/C16H19N3O4S2/c1-5-23-14(21)13(10(3)20)24-16-19-18-15(25-16)17-11-8-9(2)6-7-12(11)22-4/h6-8,13H,5H2,1-4H3,(H,17,18)/t13-/m1/s1