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

Systemtic Name: methyl 2-[(2E)-2-bis[cyclohexyl(methyl)amino]phosphinothioyliminopyridin-1-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H37N4O2PS MolecularWeight: 452.593541

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)P(=S)(N=C2C=CC=CN2CC(=O)OC)N(C)C3CCCCC3

Isomeric SMILES

CN(C1CCCCC1)P(=S)(/N=C/2\C=CC=CN2CC(=O)OC)N(C)C3CCCCC3

InChI

InChI=1S/C22H37N4O2PS/c1-24(19-12-6-4-7-13-19)29(30,25(2)20-14-8-5-9-15-20)23-21-16-10-11-17-26(21)18-22(27)28-3/h10-11,16-17,19-20H,4-9,12-15,18H2,1-3H3/b23-21+