methyl (2R)-4-methyl-2-[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]pentanoate

Systemtic Name: methyl (2R)-4-methyl-2-[2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]pentanoate Openeye Name: methyl (2R)-2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NN=C(S1)NC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CSC1=NN=C(S1)NC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O3S2/c1-11(2)9-13(15(23)24-3)19-14(22)10-25-17-21-20-16(26-17)18-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,18,20)(H,19,22)/t13-/m1/s1