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

Systemtic Name: methyl 4-[[5-(3-oxidanylidene-1,2-benzothiazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(3-oxo-1,2-benzothiazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(3-oxo-1,2-benzothiazol-2-yl)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(3-oxo-1,2-benzothiazol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(3-keto-1,2-benzothiazol-2-yl)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C18H13N3O3S3 MolecularWeight: 415.50912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)N3C(=O)C4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)N3C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C18H13N3O3S3/c1-24-16(23)12-8-6-11(7-9-12)10-25-18-20-19-17(26-18)21-15(22)13-4-2-3-5-14(13)27-21/h2-9H,10H2,1H3