S-[2-[4-[methyl-(3-oxidanyl-4-phenyl-phenyl)sulfonyl-amino]phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-[methyl-(3-oxidanyl-4-phenyl-phenyl)sulfonyl-amino]phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-[(3-hydroxy-4-phenyl-phenyl)sulfonyl-methyl-amino]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-[(3-hydroxy-4-phenylphenyl)sulfonyl-methylamino]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[(3-hydroxy-4-phenylphenyl)sulfonyl-methylamino]phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-[(3-hydroxy-4-phenyl-phenyl)sulfonyl-methyl-amino]phenyl]-2-keto-ethyl] ester Formula: C23H21NO5S2 MolecularWeight: 455.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC(=C(C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC(=C(C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H21NO5S2/c1-16(25)30-15-23(27)18-8-10-19(11-9-18)24(2)31(28,29)20-12-13-21(22(26)14-20)17-6-4-3-5-7-17/h3-14,26H,15H2,1-2H3