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

Systemtic Name: methyl 4-[(3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazin-6-yl)carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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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)OC)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-4-6-12-22-21-24(13-7-5-2)18(25)14-17(29-21)19(26)23-16-10-8-15(9-11-16)20(27)28-3/h8-11,14H,4-7,12-13H2,1-3H3,(H,23,26)