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

Systemtic Name: 3-[(3-ethyl-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl)carbonylamino]benzoic acid Openeye Name: 3-[(3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid CAS Name: 3-[[(3-ethyl-4-oxo-2-phenylimino-1,3-thiazinan-6-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(3-ethyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid Traditional Name: 3-[(3-ethyl-4-keto-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(SC1=NC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)CC(SC1=NC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H19N3O4S/c1-2-23-17(24)12-16(28-20(23)22-14-8-4-3-5-9-14)18(25)21-15-10-6-7-13(11-15)19(26)27/h3-11,16H,2,12H2,1H3,(H,21,25)(H,26,27)