methyl 2-[1-oxidanylidene-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-oxidanylidene-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]sulfanylethanoate Openeye Name: methyl 2-[1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]propylsulfanyl]acetate CAS Name: 2-[[1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]sulfanylacetate Traditional Name: 2-[1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]propylthio]acetic acid methyl ester Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C2=CC=CC=C2)SCC(=O)OC

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)C2=CC=CC=C2)SCC(=O)OC

InChI

InChI=1S/C15H17N3O3S2/c1-3-11(22-9-12(19)21-2)13(20)16-15-18-17-14(23-15)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3,(H,16,18,20)