2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-4-[2-oxidanylidene-2-(prop-2-enoxyamino)ethyl]-1,4-benzothiazine-7-carboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-4-[2-oxidanylidene-2-(prop-2-enoxyamino)ethyl]-1,4-benzothiazine-7-carboxylic acid Openeye Name: 4-[2-(allyloxyamino)-2-oxo-ethyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazine-7-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-oxo-2-(prop-2-enoxyamino)ethyl]-1,4-benzothiazine-7-carboxylic acid IUPAC Name: 2-[(4-methoxyphenyl)methyl]-3-oxo-4-[2-oxo-2-(prop-2-enoxyamino)ethyl]-1,4-benzothiazine-7-carboxylic acid Traditional Name: 4-[2-(allyloxyamino)-2-keto-ethyl]-3-keto-2-p-anisyl-1,4-benzothiazine-7-carboxylic acid Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2C(=O)N(C3=C(S2)C=C(C=C3)C(=O)O)CC(=O)NOCC=C

Isomeric SMILES

COC1=CC=C(C=C1)CC2C(=O)N(C3=C(S2)C=C(C=C3)C(=O)O)CC(=O)NOCC=C

InChI

InChI=1S/C22H22N2O6S/c1-3-10-30-23-20(25)13-24-17-9-6-15(22(27)28)12-18(17)31-19(21(24)26)11-14-4-7-16(29-2)8-5-14/h3-9,12,19H,1,10-11,13H2,2H3,(H,23,25)(H,27,28)