ethyl 2-[[5-[(2-acetamido-3-methyl-butanoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-[(2-acetamido-3-methyl-butanoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(2-acetamido-3-methyl-butanoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-acetamido-3-methyl-1-oxobutyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(2-acetamido-3-methylbutanoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-acetamido-3-methyl-butanoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C13H20N4O4S2 MolecularWeight: 360.4523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O4S2/c1-5-21-9(19)6-22-13-17-16-12(23-13)15-11(20)10(7(2)3)14-8(4)18/h7,10H,5-6H2,1-4H3,(H,14,18)(H,15,16,20)