methyl 1-(4-bromophenyl)imino-2-methyl-3-phenyl-1-pyrrolidin-1-yl-thieno[3,2-c][1,5,2]diazaphosphinine-6-carboxylate

Systemtic Name: methyl 1-(4-bromophenyl)imino-2-methyl-3-phenyl-1-pyrrolidin-1-yl-thieno[3,2-c][1,5,2]diazaphosphinine-6-carboxylate Openeye Name: methyl 1-(4-bromophenyl)imino-2-methyl-3-phenyl-1-pyrrolidin-1-yl-thieno[3,2-c][1,5,2]diazaphosphinine-6-carboxylate CAS Name: 1-(4-bromophenyl)imino-2-methyl-3-phenyl-1-(1-pyrrolidinyl)-6-thieno[3,2-c][1,5,2]diazaphosphorinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromophenyl)imino-2-methyl-3-phenyl-1-pyrrolidin-1-ylthieno[3,2-c][1,5,2]diazaphosphinine-6-carboxylate Traditional Name: 1-(4-bromophenyl)imino-2-methyl-3-phenyl-1-pyrrolidino-thieno[3,2-c][1,5,2]diazaphosphorine-6-carboxylic acid methyl ester Formula: C24H24BrN4O2PS MolecularWeight: 543.415721

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(P1(=NC3=CC=C(C=C3)Br)N4CCCC4)C=C(S2)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CN1C(=NC2=C(P1(=NC3=CC=C(C=C3)Br)N4CCCC4)C=C(S2)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C24H24BrN4O2PS/c1-28-22(17-8-4-3-5-9-17)26-23-20(16-21(33-23)24(30)31-2)32(28,29-14-6-7-15-29)27-19-12-10-18(25)11-13-19/h3-5,8-13,16H,6-7,14-15H2,1-2H3