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

Systemtic Name: methyl 2-[(6-tert-butyl-3-cyclohexyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)amino]-3-methyl-pentanoate Openeye Name: methyl 2-[(6-tert-butyl-3-cyclohexyl-2-thioxo-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)amino]-3-methyl-pentanoate CAS Name: 2-[(6-tert-butyl-3-cyclohexyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzoxazaphosphorin-2-yl)amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(6-tert-butyl-3-cyclohexyl-2-sulfanylidene-4H-1,3,2$l^{5}-benzoxazaphosphinin-2-yl)amino]-3-methylpentanoate Traditional Name: 2-[(6-tert-butyl-3-cyclohexyl-2-thioxo-4H-1,3,2$l^{5}-benzoxazaphosphorin-2-yl)amino]-3-methyl-valeric acid methyl ester Formula: C24H39N2O3PS MolecularWeight: 466.616821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H39N2O3PS/c1-7-17(2)22(23(27)28-6)25-30(31)26(20-11-9-8-10-12-20)16-18-15-19(24(3,4)5)13-14-21(18)29-30/h13-15,17,20,22H,7-12,16H2,1-6H3,(H,25,31)