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

Systemtic Name: ethyl 4-[[4-oxidanylidene-2-phenylimino-3-(phenylmethyl)-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[(3-benzyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[4-oxo-2-phenylimino-3-(phenylmethyl)-1,3-thiazinan-6-yl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-benzyl-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoate Traditional Name: 4-[(3-benzyl-4-keto-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid ethyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4S/c1-2-34-26(33)20-13-15-22(16-14-20)28-25(32)23-17-24(31)30(18-19-9-5-3-6-10-19)27(35-23)29-21-11-7-4-8-12-21/h3-16,23H,2,17-18H2,1H3,(H,28,32)