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

Systemtic Name: methyl 2-[(6-tert-butyl-3-cyclohexyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)amino]propanoate Openeye Name: methyl 2-[(6-tert-butyl-3-cyclohexyl-2-thioxo-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)amino]propanoate CAS Name: 2-[(6-tert-butyl-3-cyclohexyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzoxazaphosphorin-2-yl)amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(6-tert-butyl-3-cyclohexyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)amino]propanoate Traditional Name: 2-[(6-tert-butyl-3-cyclohexyl-2-thioxo-4H-1,3,2$l^{5}-benzoxazaphosphorin-2-yl)amino]propionic acid methyl ester Formula: C21H33N2O3PS MolecularWeight: 424.537081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NP1(=S)N(CC2=C(O1)C=CC(=C2)C(C)(C)C)C3CCCCC3

Isomeric SMILES

CC(C(=O)OC)NP1(=S)N(CC2=C(O1)C=CC(=C2)C(C)(C)C)C3CCCCC3

InChI

InChI=1S/C21H33N2O3PS/c1-15(20(24)25-5)22-27(28)23(18-9-7-6-8-10-18)14-16-13-17(21(2,3)4)11-12-19(16)26-27/h11-13,15,18H,6-10,14H2,1-5H3,(H,22,28)