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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S2/c1-4-11(2)14(15(23)24-3)19-13(22)10-25-17-21-20-16(26-17)18-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3,(H,18,20)(H,19,22)