S-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl] 2-[(4-methylphenyl)sulfonylamino]propanethioate

Systemtic Name: S-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl] 2-[(4-methylphenyl)sulfonylamino]propanethioate Openeye Name: S-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) 2-(p-tolylsulfonylamino)propanethioate CAS Name: 2-[(4-methylphenyl)sulfonylamino]propanethioic acid S-[6-(2-phenoxathiinyl)-4-(phenylmethyl)-3-pyridazinyl] ester IUPAC Name: S-(4-benzyl-6-phenoxathiin-2-ylpyridazin-3-yl) 2-[(4-methylphenyl)sulfonylamino]propanethioate Traditional Name: 2-(tosylamino)propanethioic acid S-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl) ester Formula: C33H27N3O4S3 MolecularWeight: 625.78018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)SC2=NN=C(C=C2CC3=CC=CC=C3)C4=CC5=C(C=C4)OC6=CC=CC=C6S5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)SC2=NN=C(C=C2CC3=CC=CC=C3)C4=CC5=C(C=C4)OC6=CC=CC=C6S5

InChI

InChI=1S/C33H27N3O4S3/c1-21-12-15-26(16-13-21)43(38,39)36-22(2)33(37)42-32-25(18-23-8-4-3-5-9-23)19-27(34-35-32)24-14-17-29-31(20-24)41-30-11-7-6-10-28(30)40-29/h3-17,19-20,22,36H,18H2,1-2H3