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

Systemtic Name: methyl 4-[(4-oxidanylidene-3-phenethyl-2-phenethylimino-1,3-thiazin-6-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(4-oxo-3-phenethyl-2-phenethylimino-1,3-thiazine-6-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(4-oxo-3-phenethyl-2-phenethylimino-1,3-thiazin-6-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxo-3-phenethyl-2-phenethylimino-1,3-thiazine-6-carbonyl)amino]benzoate Traditional Name: 4-[(4-keto-3-phenethyl-2-phenethylimino-1,3-thiazine-6-carbonyl)amino]benzoic acid methyl ester Formula: C29H27N3O4S MolecularWeight: 513.60738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=O)N(C(=NCCC3=CC=CC=C3)S2)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=O)N(C(=NCCC3=CC=CC=C3)S2)CCC4=CC=CC=C4

InChI

InChI=1S/C29H27N3O4S/c1-36-28(35)23-12-14-24(15-13-23)31-27(34)25-20-26(33)32(19-17-22-10-6-3-7-11-22)29(37-25)30-18-16-21-8-4-2-5-9-21/h2-15,20H,16-19H2,1H3,(H,31,34)