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

Systemtic Name: ethyl 4-[(3-heptyl-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(3-heptyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoate CAS Name: 4-[[(3-heptyl-4-oxo-2-phenylimino-1,3-thiazinan-6-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-heptyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoate Traditional Name: 4-[(3-heptyl-4-keto-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid ethyl ester Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O4S/c1-3-5-6-7-11-18-30-24(31)19-23(35-27(30)29-21-12-9-8-10-13-21)25(32)28-22-16-14-20(15-17-22)26(33)34-4-2/h8-10,12-17,23H,3-7,11,18-19H2,1-2H3,(H,28,32)