(3R)-2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3R)-2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3R)-2-[(5-isoxazol-3-yl-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3R)-2-[[5-(3-isoxazolyl)-2-thiophenyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3R)-2-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3R)-2-[(5-isoxazol-3-yl-2-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H14N2O5S2 MolecularWeight: 390.43346

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(S3)C4=NOC=C4)C(=O)O

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(S3)C4=NOC=C4)C(=O)O

InChI

InChI=1S/C17H14N2O5S2/c20-17(21)14-9-11-3-1-2-4-12(11)10-19(14)26(22,23)16-6-5-15(25-16)13-7-8-24-18-13/h1-8,14H,9-10H2,(H,20,21)/t14-/m1/s1