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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(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;1-3-4(2)8-9(5,6)7/h2-5,7,9,15H,6,8,10H2,1H3;4H,3H2,1-2H3,(H,5,6,7)/t15-;/m0./s1