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

Systemtic Name: methyl 4-[[5-(1,3-benzothiazol-6-ylcarbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(1,3-benzothiazole-6-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(1,3-benzothiazole-6-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(1,3-benzothiazole-6-carbonylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C19H14N4O3S3 MolecularWeight: 442.53446

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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(C=C3)N=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C19H14N4O3S3/c1-26-17(25)12-4-2-11(3-5-12)9-27-19-23-22-18(29-19)21-16(24)13-6-7-14-15(8-13)28-10-20-14/h2-8,10H,9H2,1H3,(H,21,22,24)