2-[3-(4-methoxyphenyl)propyl]-4-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxylate

Systemtic Name: 2-[3-(4-methoxyphenyl)propyl]-4-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxylate Openeye Name: 4-[2-(hydroxyamino)-2-oxo-ethyl]-2-[3-(4-methoxyphenyl)propyl]-3-oxo-1,4-benzothiazine-6-carboxylate CAS Name: 4-[2-(hydroxyamino)-2-oxoethyl]-2-[3-(4-methoxyphenyl)propyl]-3-oxo-1,4-benzothiazine-6-carboxylate IUPAC Name: 4-[2-(hydroxyamino)-2-oxoethyl]-2-[3-(4-methoxyphenyl)propyl]-3-oxo-1,4-benzothiazine-6-carboxylate Traditional Name: 4-[2-(hydroxyamino)-2-keto-ethyl]-3-keto-2-[3-(4-methoxyphenyl)propyl]-1,4-benzothiazine-6-carboxylate Formula: C21H21N2O6S- MolecularWeight: 429.46624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCC2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)[O-])CC(=O)NO

Isomeric SMILES

COC1=CC=C(C=C1)CCCC2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)[O-])CC(=O)NO

InChI

InChI=1S/C21H22N2O6S/c1-29-15-8-5-13(6-9-15)3-2-4-18-20(25)23(12-19(24)22-28)16-11-14(21(26)27)7-10-17(16)30-18/h5-11,18,28H,2-4,12H2,1H3,(H,22,24)(H,26,27)/p-1