[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methyl-pentanoate

Systemtic Name: [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methyl-pentanoate Openeye Name: [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl] (2S)-2-benzamido-4-methyl-pentanoate CAS Name: (2S)-2-benzamido-4-methylpentanoic acid [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2S)-2-benzamido-4-methylpentanoate Traditional Name: (2S)-2-benzamido-4-methyl-valeric acid [2-keto-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl] ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)COC(=O)C(CC(C)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=NN=C(S1)NC(=O)COC(=O)[C@H](CC(C)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22N4O4S/c1-11(2)9-14(19-16(24)13-7-5-4-6-8-13)17(25)26-10-15(23)20-18-22-21-12(3)27-18/h4-8,11,14H,9-10H2,1-3H3,(H,19,24)(H,20,22,23)/t14-/m0/s1