methyl 4-(3-oxidanyl-1-oxidanylidene-4,5,6,7-tetrahydro-3H-1,2-benzothiazol-2-yl)benzoate

Systemtic Name: methyl 4-(3-oxidanyl-1-oxidanylidene-4,5,6,7-tetrahydro-3H-1,2-benzothiazol-2-yl)benzoate Openeye Name: methyl 4-(3-hydroxy-1-oxo-4,5,6,7-tetrahydro-3H-1,2-benzothiazol-2-yl)benzoate CAS Name: 4-(3-hydroxy-1-oxo-4,5,6,7-tetrahydro-3H-1,2-benzothiazol-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-hydroxy-1-oxo-4,5,6,7-tetrahydro-3H-1,2-benzothiazol-2-yl)benzoate Traditional Name: 4-(3-hydroxy-1-keto-4,5,6,7-tetrahydro-3H-1,2-benzothiazol-2-yl)benzoic acid methyl ester Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(C3=C(S2=O)CCCC3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(C3=C(S2=O)CCCC3)O

InChI

InChI=1S/C15H17NO4S/c1-20-15(18)10-6-8-11(9-7-10)16-14(17)12-4-2-3-5-13(12)21(16)19/h6-9,14,17H,2-5H2,1H3