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

Systemtic Name: ethyl 4-[[3-heptyl-2-(4-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-heptyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[3-heptyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-heptyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[3-heptyl-4-keto-2-(4-methoxyphenyl)imino-1,3-thiazinane-6-carbonyl]amino]benzoic acid ethyl ester Formula: C28H35N3O5S MolecularWeight: 525.6596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O5S/c1-4-6-7-8-9-18-31-25(32)19-24(37-28(31)30-22-14-16-23(35-3)17-15-22)26(33)29-21-12-10-20(11-13-21)27(34)36-5-2/h10-17,24H,4-9,18-19H2,1-3H3,(H,29,33)