ethyl 4-[(3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazin-6-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazin-6-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(3-butyl-2-butylimino-4-oxo-1,3-thiazine-6-carbonyl)amino]benzoate CAS Name: 4-[[(3-butyl-2-butylimino-4-oxo-1,3-thiazin-6-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-butyl-2-butylimino-4-oxo-1,3-thiazine-6-carbonyl)amino]benzoate Traditional Name: 4-[(3-butyl-2-butylimino-4-keto-1,3-thiazine-6-carbonyl)amino]benzoic acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1N(C(=O)C=C(S1)C(=O)NC2=CC=C(C=C2)C(=O)OCC)CCCC

Isomeric SMILES

CCCCN=C1N(C(=O)C=C(S1)C(=O)NC2=CC=C(C=C2)C(=O)OCC)CCCC

InChI

InChI=1S/C22H29N3O4S/c1-4-7-13-23-22-25(14-8-5-2)19(26)15-18(30-22)20(27)24-17-11-9-16(10-12-17)21(28)29-6-3/h9-12,15H,4-8,13-14H2,1-3H3,(H,24,27)