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

Systemtic Name: tert-butyl 4-(2-ethoxy-2-oxidanylidene-ethyl)-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxylate Openeye Name: tert-butyl 4-(2-ethoxy-2-oxo-ethyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylate CAS Name: 4-(2-ethoxy-2-oxoethyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-ethoxy-2-oxoethyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylate Traditional Name: 4-(2-ethoxy-2-keto-ethyl)-3-keto-2-p-anisyl-1,4-benzothiazine-6-carboxylic acid tert-butyl ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)C(=O)OC(C)(C)C)SC(C1=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)C(=O)OC(C)(C)C)SC(C1=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H29NO6S/c1-6-31-22(27)15-26-19-14-17(24(29)32-25(2,3)4)9-12-20(19)33-21(23(26)28)13-16-7-10-18(30-5)11-8-16/h7-12,14,21H,6,13,15H2,1-5H3