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

Systemtic Name: methyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-2-methoxy-benzoate Openeye Name: methyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-2-methoxy-benzoate CAS Name: 4-[3-(1,3-benzothiazol-2-ylthio)propylsulfonylamino]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonylamino]-2-methoxybenzoate Traditional Name: 4-[3-(1,3-benzothiazol-2-ylthio)propylsulfonylamino]-2-methoxy-benzoic acid methyl ester Formula: C19H20N2O5S3 MolecularWeight: 452.5675

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C19H20N2O5S3/c1-25-16-12-13(8-9-14(16)18(22)26-2)21-29(23,24)11-5-10-27-19-20-15-6-3-4-7-17(15)28-19/h3-4,6-9,12,21H,5,10-11H2,1-2H3