ethyl 2-[[5-(3-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-(3-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(3-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[(3-methyl-1-oxobutyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(3-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-(isovalerylamino)-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C11H17N3O3S2 MolecularWeight: 303.40098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)CC(C)C

InChI

InChI=1S/C11H17N3O3S2/c1-4-17-9(16)6-18-11-14-13-10(19-11)12-8(15)5-7(2)3/h7H,4-6H2,1-3H3,(H,12,13,15)