tert-butyl 4-[[5-(4-methylphenyl)-4-oxidanylidene-1,3,5-thiadiazinan-2-yl]methyl]benzoate

Systemtic Name: tert-butyl 4-[[5-(4-methylphenyl)-4-oxidanylidene-1,3,5-thiadiazinan-2-yl]methyl]benzoate Openeye Name: tert-butyl 4-[[4-oxo-5-(p-tolyl)-1,3,5-thiadiazinan-2-yl]methyl]benzoate CAS Name: 4-[[5-(4-methylphenyl)-4-oxo-1,3,5-thiadiazinan-2-yl]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(4-methylphenyl)-4-oxo-1,3,5-thiadiazinan-2-yl]methyl]benzoate Traditional Name: 4-[[4-keto-5-(p-tolyl)-1,3,5-thiadiazinan-2-yl]methyl]benzoic acid tert-butyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CSC(NC2=O)CC3=CC=C(C=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2CSC(NC2=O)CC3=CC=C(C=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H26N2O3S/c1-15-5-11-18(12-6-15)24-14-28-19(23-21(24)26)13-16-7-9-17(10-8-16)20(25)27-22(2,3)4/h5-12,19H,13-14H2,1-4H3,(H,23,26)