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

Systemtic Name: ethyl 4-[[2-(4-chlorophenyl)imino-3-heptyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-chlorophenyl)imino-3-heptyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-chlorophenyl)imino-3-heptyl-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid ethyl ester Formula: C27H32ClN3O4S MolecularWeight: 530.07868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32ClN3O4S/c1-3-5-6-7-8-17-31-24(32)18-23(36-27(31)30-22-15-11-20(28)12-16-22)25(33)29-21-13-9-19(10-14-21)26(34)35-4-2/h9-16,23H,3-8,17-18H2,1-2H3,(H,29,33)