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

Systemtic Name: methyl 2-[(6-tert-butyl-3-cyclohexyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)amino]ethanoate Openeye Name: methyl 2-[(6-tert-butyl-3-cyclohexyl-2-thioxo-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)amino]acetate CAS Name: 2-[(6-tert-butyl-3-cyclohexyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzoxazaphosphorin-2-yl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[(6-tert-butyl-3-cyclohexyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)amino]acetate Traditional Name: 2-[(6-tert-butyl-3-cyclohexyl-2-thioxo-4H-1,3,2$l^{5}-benzoxazaphosphorin-2-yl)amino]acetic acid methyl ester Formula: C20H31N2O3PS MolecularWeight: 410.510501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N2O3PS/c1-20(2,3)16-10-11-18-15(12-16)14-22(17-8-6-5-7-9-17)26(27,25-18)21-13-19(23)24-4/h10-12,17H,5-9,13-14H2,1-4H3,(H,21,27)