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

Systemtic Name: methyl 4-[[5-(2-thiophen-3-ylethanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[[2-(3-thienyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[1-oxo-2-(3-thiophenyl)ethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(2-thiophen-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[[2-(3-thienyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C17H15N3O3S3 MolecularWeight: 405.5143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CC3=CSC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)CC3=CSC=C3

InChI

InChI=1S/C17H15N3O3S3/c1-23-15(22)13-4-2-11(3-5-13)10-25-17-20-19-16(26-17)18-14(21)8-12-6-7-24-9-12/h2-7,9H,8,10H2,1H3,(H,18,19,21)