(3R)-2-(5-methylthiophen-2-yl)sulfonyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-2-(5-methylthiophen-2-yl)sulfonyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-6,7-dihydroxy-2-[(5-methyl-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-6,7-dihydroxy-2-[(5-methyl-2-thiophenyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-6,7-dihydroxy-2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-6,7-dihydroxy-2-[(5-methyl-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H15NO6S2 MolecularWeight: 369.4127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)O)O

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CC3=CC(=C(C=C3C[C@@H]2C(=O)O)O)O

InChI

InChI=1S/C15H15NO6S2/c1-8-2-3-14(23-8)24(21,22)16-7-10-6-13(18)12(17)5-9(10)4-11(16)15(19)20/h2-3,5-6,11,17-18H,4,7H2,1H3,(H,19,20)/t11-/m1/s1