methyl 4-[[5-(4-methylpentanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(4-methylpentanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(4-methylpentanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(4-methyl-1-oxopentyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-methylpentanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(4-methylpentanoylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)CCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H21N3O3S2/c1-11(2)4-9-14(21)18-16-19-20-17(25-16)24-10-12-5-7-13(8-6-12)15(22)23-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19,21)