methyl 2-[(6-tert-butyl-3-cyclohexyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)amino]benzoate

Systemtic Name: methyl 2-[(6-tert-butyl-3-cyclohexyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)amino]benzoate Openeye Name: methyl 2-[(6-tert-butyl-3-cyclohexyl-2-thioxo-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)amino]benzoate CAS Name: 2-[(6-tert-butyl-3-cyclohexyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzoxazaphosphorin-2-yl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(6-tert-butyl-3-cyclohexyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)amino]benzoate Traditional Name: 2-[(6-tert-butyl-3-cyclohexyl-2-thioxo-4H-1,3,2$l^{5}-benzoxazaphosphorin-2-yl)amino]benzoic acid methyl ester Formula: C25H33N2O3PS MolecularWeight: 472.579881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OP(=S)(N(C2)C3CCCCC3)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OP(=S)(N(C2)C3CCCCC3)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H33N2O3PS/c1-25(2,3)19-14-15-23-18(16-19)17-27(20-10-6-5-7-11-20)31(32,30-23)26-22-13-9-8-12-21(22)24(28)29-4/h8-9,12-16,20H,5-7,10-11,17H2,1-4H3,(H,26,32)