methyl 4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyloxy]benzoate

Systemtic Name: methyl 4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyloxy]benzoate Openeye Name: methyl 4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyloxy]benzoate CAS Name: 4-[4-(1,3-benzothiazol-2-ylthio)-1-oxobutoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyloxy]benzoate Traditional Name: 4-[4-(1,3-benzothiazol-2-ylthio)butanoyloxy]benzoic acid methyl ester Formula: C19H17NO4S2 MolecularWeight: 387.47258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO4S2/c1-23-18(22)13-8-10-14(11-9-13)24-17(21)7-4-12-25-19-20-15-5-2-3-6-16(15)26-19/h2-3,5-6,8-11H,4,7,12H2,1H3