3-[[2-(4-ethoxycarbonylphenyl)imino-3-heptyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-(4-ethoxycarbonylphenyl)imino-3-heptyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(4-ethoxycarbonylphenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(4-ethoxycarbonylphenyl)imino-3-heptyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(4-ethoxycarbonylphenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(4-carbethoxyphenyl)imino-3-heptyl-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C28H33N3O6S MolecularWeight: 539.64312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OCC)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OCC)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C28H33N3O6S/c1-3-5-6-7-8-16-31-24(32)18-23(25(33)29-22-11-9-10-20(17-22)26(34)35)38-28(31)30-21-14-12-19(13-15-21)27(36)37-4-2/h9-15,17,23H,3-8,16,18H2,1-2H3,(H,29,33)(H,34,35)