benzenesulfonic acid; methyl (2R)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanoate

Systemtic Name: benzenesulfonic acid; methyl (2R)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanoate Openeye Name: benzenesulfonic acid; methyl (2R)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate CAS Name: benzenesulfonic acid; (2R)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester IUPAC Name: benzenesulfonic acid; methyl (2R)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate Traditional Name: besylic acid; (2R)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester Formula: C22H22ClNO5S2 MolecularWeight: 479.99678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C16H16ClNO2S.C6H6O3S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;7-10(8,9)6-4-2-1-3-5-6/h2-5,7,9,15H,6,8,10H2,1H3;1-5H,(H,7,8,9)/t15-;/m1./s1