ethyl 3-[di(propan-2-yloxy)phosphoryl-(4-methylphenoxy)carbothioyloxy-methyl]-2-methyl-indolizine-1-carboxylate

Systemtic Name: ethyl 3-[di(propan-2-yloxy)phosphoryl-(4-methylphenoxy)carbothioyloxy-methyl]-2-methyl-indolizine-1-carboxylate Openeye Name: ethyl 3-[diisopropoxyphosphoryl-(4-methylphenoxy)carbothioyloxy-methyl]-2-methyl-indolizine-1-carboxylate CAS Name: 3-[di(propan-2-yloxy)phosphoryl-[(4-methylphenoxy)-sulfanylidenemethoxy]methyl]-2-methyl-1-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[di(propan-2-yloxy)phosphoryl-(4-methylphenoxy)carbothioyloxymethyl]-2-methylindolizine-1-carboxylate Traditional Name: 3-[diisopropoxyphosphoryl-(4-methylphenoxy)carbothioyloxy-methyl]-2-methyl-indolizine-1-carboxylic acid ethyl ester Formula: C27H34NO7PS MolecularWeight: 547.600121

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C(=C1C)C(OC(=S)OC3=CC=C(C=C3)C)P(=O)(OC(C)C)OC(C)C

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C(=C1C)C(OC(=S)OC3=CC=C(C=C3)C)P(=O)(OC(C)C)OC(C)C

InChI

InChI=1S/C27H34NO7PS/c1-8-31-25(29)23-20(7)24(28-16-10-9-11-22(23)28)26(36(30,34-17(2)3)35-18(4)5)33-27(37)32-21-14-12-19(6)13-15-21/h9-18,26H,8H2,1-7H3