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

Systemtic Name: methyl 4-[[5-[(2-methoxy-5-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[[5-(2-methoxy-5-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[5-(2-methoxy-5-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-methoxy-5-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: 3-keto-4-[[5-(2-methoxy-5-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]butyric acid methyl ester Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=NN=C(S2)SCC(=O)CC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=NN=C(S2)SCC(=O)CC(=O)OC

InChI

InChI=1S/C15H17N3O4S2/c1-9-4-5-12(21-2)11(6-9)16-14-17-18-15(24-14)23-8-10(19)7-13(20)22-3/h4-6H,7-8H2,1-3H3,(H,16,17)