methyl 2-[(2Z)-2-bis(4-methylphenoxy)phosphinothioylimino-1,3-thiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(2Z)-2-bis(4-methylphenoxy)phosphinothioylimino-1,3-thiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-2-bis(4-methylphenoxy)phosphinothioyliminothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-bis(4-methylphenoxy)phosphinothioylimino-3-thiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-2-bis(4-methylphenoxy)phosphinothioylimino-1,3-thiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-bis(4-methylphenoxy)thiophosphorylimino-4-thiazolin-3-yl]acetic acid methyl ester Formula: C20H21N2O4PS2 MolecularWeight: 448.495501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OP(=S)(N=C2N(C=CS2)CC(=O)OC)OC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)OP(=S)(/N=C\2/N(C=CS2)CC(=O)OC)OC3=CC=C(C=C3)C

InChI

InChI=1S/C20H21N2O4PS2/c1-15-4-8-17(9-5-15)25-27(28,26-18-10-6-16(2)7-11-18)21-20-22(12-13-29-20)14-19(23)24-3/h4-13H,14H2,1-3H3/b21-20-