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

Systemtic Name: methyl 4-[[5-[(3-methylthiophen-2-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(3-methylthiophene-2-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(3-methyl-2-thiophenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(3-methylthiophene-2-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(3-methylthiophene-2-carbonyl)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:

CC1=C(SC=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H15N3O3S3/c1-10-7-8-24-13(10)14(21)18-16-19-20-17(26-16)25-9-11-3-5-12(6-4-11)15(22)23-2/h3-8H,9H2,1-2H3,(H,18,19,21)