ethyl 2-[(2E)-2-bis[cyclohexyl(methyl)amino]phosphinothioyliminopyridin-1-yl]ethanoate

Systemtic Name: ethyl 2-[(2E)-2-bis[cyclohexyl(methyl)amino]phosphinothioyliminopyridin-1-yl]ethanoate Openeye Name: ethyl 2-[(2E)-2-bis[cyclohexyl(methyl)amino]phosphinothioylimino-1-pyridyl]acetate CAS Name: 2-[(2E)-2-bis[cyclohexyl(methyl)amino]phosphinothioylimino-1-pyridinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2E)-2-bis[cyclohexyl(methyl)amino]phosphinothioyliminopyridin-1-yl]acetate Traditional Name: 2-[(2E)-2-bis[cyclohexyl(methyl)amino]thiophosphorylimino-1-pyridyl]acetic acid ethyl ester Formula: C23H39N4O2PS MolecularWeight: 466.620121

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=CC=CC1=NP(=S)(N(C)C2CCCCC2)N(C)C3CCCCC3

Isomeric SMILES

CCOC(=O)CN\1C=CC=C/C1=N\P(=S)(N(C)C2CCCCC2)N(C)C3CCCCC3

InChI

InChI=1S/C23H39N4O2PS/c1-4-29-23(28)19-27-18-12-11-17-22(27)24-30(31,25(2)20-13-7-5-8-14-20)26(3)21-15-9-6-10-16-21/h11-12,17-18,20-21H,4-10,13-16,19H2,1-3H3/b24-22+