tert-butyl hydrogen sulfate; methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanoate

Systemtic Name: tert-butyl hydrogen sulfate; methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanoate Openeye Name: tert-butyl hydrogen sulfate; methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate CAS Name: (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester; sulfuric acid tert-butyl ester IUPAC Name: tert-butyl hydrogen sulfate; methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate Traditional Name: (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid methyl ester; sulfuric acid tert-butyl ester Formula: C20H26ClNO6S2 MolecularWeight: 476.00654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO2S.C4H10O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-4(2,3)8-9(5,6)7/h2-5,7,9,15H,6,8,10H2,1H3;1-3H3,(H,5,6,7)/t15-;/m0./s1