3-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazinane-6-carboxylic acid

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazinane-6-carboxylic acid Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxylic acid Traditional Name: 4-keto-2-(4-methoxyphenyl)imino-3-veratryl-1,3-thiazinane-6-carboxylic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)O)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)O)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O6S/c1-27-15-7-5-14(6-8-15)22-21-23(19(24)11-18(30-21)20(25)26)12-13-4-9-16(28-2)17(10-13)29-3/h4-10,18H,11-12H2,1-3H3,(H,25,26)