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

Systemtic Name: methyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyloxy]benzoate Openeye Name: methyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxybenzoate CAS Name: 4-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxybenzoate Traditional Name: 4-[2-(1,3-benzothiazol-2-ylthio)acetyl]oxybenzoic acid methyl ester Formula: C17H13NO4S2 MolecularWeight: 359.41942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13NO4S2/c1-21-16(20)11-6-8-12(9-7-11)22-15(19)10-23-17-18-13-4-2-3-5-14(13)24-17/h2-9H,10H2,1H3