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

Systemtic Name: 3-[[3-heptyl-2-(4-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-heptyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-heptyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-heptyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-heptyl-4-keto-2-(4-methoxyphenyl)imino-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O5S/c1-3-4-5-6-7-15-29-23(30)17-22(24(31)27-20-10-8-9-18(16-20)25(32)33)35-26(29)28-19-11-13-21(34-2)14-12-19/h8-14,16,22H,3-7,15,17H2,1-2H3,(H,27,31)(H,32,33)