tert-butyl 5-(4-methoxyphenyl)-6-(3-methylphenyl)carbonyloxy-1-oxidanidyl-1-oxidanylidene-5,6,7,7a-tetrahydro-3H-1,2-benzothiazole-2-carboxylate

Systemtic Name: tert-butyl 5-(4-methoxyphenyl)-6-(3-methylphenyl)carbonyloxy-1-oxidanidyl-1-oxidanylidene-5,6,7,7a-tetrahydro-3H-1,2-benzothiazole-2-carboxylate Openeye Name: tert-butyl 5-(4-methoxyphenyl)-6-(3-methylbenzoyl)oxy-1-oxido-1-oxo-5,6,7,7a-tetrahydro-3H-1,2-benzothiazole-2-carboxylate CAS Name: 5-(4-methoxyphenyl)-6-[(3-methylphenyl)-oxomethoxy]-1-oxido-1-oxo-5,6,7,7a-tetrahydro-3H-1,2-benzothiazole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(4-methoxyphenyl)-6-(3-methylbenzoyl)oxy-1-oxido-1-oxo-5,6,7,7a-tetrahydro-3H-1,2-benzothiazole-2-carboxylate Traditional Name: 1-keto-5-(4-methoxyphenyl)-6-m-toluoyloxy-1-oxido-5,6,7,7a-tetrahydro-3H-1,2-benzothiazole-2-carboxylic acid tert-butyl ester Formula: C27H31NO7S MolecularWeight: 513.60254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2CC3C(=CC2C4=CC=C(C=C4)OC)CN([S+]3(=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2CC3C(=CC2C4=CC=C(C=C4)OC)CN([S+]3(=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C27H31NO7S/c1-17-7-6-8-19(13-17)25(29)34-23-15-24-20(14-22(23)18-9-11-21(33-5)12-10-18)16-28(36(24,31)32)26(30)35-27(2,3)4/h6-14,22-24H,15-16H2,1-5H3