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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3)S2)CCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4S/c1-34-26(33)20-12-14-22(15-13-20)28-25(32)23-18-24(31)30(17-16-19-8-4-2-5-9-19)27(35-23)29-21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3,(H,28,32)