[2-[(4E)-4-[bis(2-cyanoethoxy)phosphoryloxy-phenylsulfanyl-methylidene]-5,5-dimethyl-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl] 2,2-dimethylpropanoate

Systemtic Name: [2-[(4E)-4-[bis(2-cyanoethoxy)phosphoryloxy-phenylsulfanyl-methylidene]-5,5-dimethyl-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl] 2,2-dimethylpropanoate Openeye Name: [2-[(4E)-4-[bis(2-cyanoethoxy)phosphoryloxy-phenylsulfanyl-methylene]-5,5-dimethyl-thiazol-2-yl]-1,3-benzothiazol-6-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[(4E)-4-[bis(2-cyanoethoxy)phosphoryloxy-(phenylthio)methylidene]-5,5-dimethyl-2-thiazolyl]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-[(4E)-4-[bis(2-cyanoethoxy)phosphoryloxy-phenylsulfanylmethylidene]-5,5-dimethyl-1,3-thiazol-2-yl]-1,3-benzothiazol-6-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[(4E)-4-[bis(2-cyanoethoxy)phosphoryloxy-(phenylthio)methylene]-5,5-dimethyl-2-thiazolin-2-yl]-1,3-benzothiazol-6-yl] ester Formula: C30H31N4O6PS3 MolecularWeight: 670.759101

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(OP(=O)(OCCC#N)OCCC#N)SC2=CC=CC=C2)N=C(S1)C3=NC4=C(S3)C=C(C=C4)OC(=O)C(C)(C)C)C

Isomeric SMILES

CC1(/C(=C(/OP(=O)(OCCC#N)OCCC#N)\SC2=CC=CC=C2)/N=C(S1)C3=NC4=C(S3)C=C(C=C4)OC(=O)C(C)(C)C)C

InChI

InChI=1S/C30H31N4O6PS3/c1-29(2,3)28(35)39-20-13-14-22-23(19-20)43-25(33-22)26-34-24(30(4,5)44-26)27(42-21-11-7-6-8-12-21)40-41(36,37-17-9-15-31)38-18-10-16-32/h6-8,11-14,19H,9-10,17-18H2,1-5H3/b27-24+