ethyl 3-[N-(3-chlorophenyl)sulfonyl-S-methyl-sulfinimidoyl]-6,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 3-[N-(3-chlorophenyl)sulfonyl-S-methyl-sulfinimidoyl]-6,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 3-[N-(3-chlorophenyl)sulfonyl-S-methyl-sulfinimidoyl]-6,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 3-[N-(3-chlorophenyl)sulfonyl-S-methylsulfinimidoyl]-6,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[N-(3-chlorophenyl)sulfonyl-S-methylsulfinimidoyl]-6,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 3-[N-(3-chlorophenyl)sulfonyl-S-methyl-sulfinimidoyl]-6,7-dihydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C18H18ClNO4S3 MolecularWeight: 443.98782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCC=CC2=C(S1)S(=NS(=O)(=O)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C2CCC=CC2=C(S1)[S@@](=NS(=O)(=O)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C18H18ClNO4S3/c1-3-24-17(21)16-14-9-4-5-10-15(14)18(25-16)26(2)20-27(22,23)13-8-6-7-12(19)11-13/h5-8,10-11H,3-4,9H2,1-2H3/t26-/m0/s1