tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 2-[(4-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-2-p-anisyl-4H-1,4-benzothiazine-6-carboxylic acid tert-butyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23NO4S/c1-21(2,3)26-20(24)14-7-10-17-16(12-14)22-19(23)18(27-17)11-13-5-8-15(25-4)9-6-13/h5-10,12,18H,11H2,1-4H3,(H,22,23)