S-[2-[4-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylamino]phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylamino]phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylamino]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-[[3-(2-methyl-4-pyrimidinyl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylamino]phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[4-[[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylamino]phenyl]ethyl] ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)CSC(=O)C

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)CSC(=O)C

InChI

InChI=1S/C21H19N3O4S2/c1-14-22-11-10-20(23-14)17-4-3-5-19(12-17)30(27,28)24-18-8-6-16(7-9-18)21(26)13-29-15(2)25/h3-12,24H,13H2,1-2H3