methyl 4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C20H19N3O3S3 MolecularWeight: 445.57816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C20H19N3O3S3/c1-26-18(25)13-8-6-12(7-9-13)11-27-20-23-22-19(29-20)21-17(24)16-10-14-4-2-3-5-15(14)28-16/h6-10H,2-5,11H2,1H3,(H,21,22,24)