1-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[(1,1-dioxothiolan-3-yl)amino]isoquinoline-3-carboxylic acid CAS Name: 1-[(1,1-dioxo-3-thiolanyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[(1,1-dioxothiolan-3-yl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[(1,1-diketothiolan-3-yl)amino]isoquinoline-3-carboxylic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CS(=O)(=O)CC1NC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c17-14(18)12-7-9-3-1-2-4-11(9)13(16-12)15-10-5-6-21(19,20)8-10/h1-4,7,10H,5-6,8H2,(H,15,16)(H,17,18)