S-[2-[4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]phenyl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]phenyl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[4-[(2,2-dimethylchroman-6-yl)sulfonylamino]phenyl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonylamino]phenyl]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-[(2,2-dimethylchroman-6-yl)sulfonylamino]phenyl]-2-keto-ethyl] ester Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CC3)(C)C

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CC3)(C)C

InChI

InChI=1S/C21H23NO5S2/c1-14(23)28-13-19(24)15-4-6-17(7-5-15)22-29(25,26)18-8-9-20-16(12-18)10-11-21(2,3)27-20/h4-9,12,22H,10-11,13H2,1-3H3