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

Systemtic Name: methyl 4-[[5-(4-thiophen-2-ylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[4-(2-thienyl)butanoylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(1-oxo-4-thiophen-2-ylbutyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-thiophen-2-ylbutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[4-(2-thienyl)butanoylamino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C19H19N3O3S3 MolecularWeight: 433.56746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCCC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C19H19N3O3S3/c1-25-17(24)14-9-7-13(8-10-14)12-27-19-22-21-18(28-19)20-16(23)6-2-4-15-5-3-11-26-15/h3,5,7-11H,2,4,6,12H2,1H3,(H,20,21,23)