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

Systemtic Name: methyl 4-[[5-(4-phenoxybutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(4-phenoxybutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(1-oxo-4-phenoxybutyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-phenoxybutanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(4-phenoxybutanoylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S2/c1-27-19(26)16-11-9-15(10-12-16)14-29-21-24-23-20(30-21)22-18(25)8-5-13-28-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,22,23,25)