methyl (2S)-2-[[4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[4-(4-methoxyphenyl)-5-thiadiazolyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=C(N=NS1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)C1=C(N=NS1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H21N3O4S/c1-10(2)9-13(17(22)24-4)18-16(21)15-14(19-20-25-15)11-5-7-12(23-3)8-6-11/h5-8,10,13H,9H2,1-4H3,(H,18,21)/t13-/m0/s1