1-(2-methoxy-2-oxidanylidene-ethyl)sulfanylisoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-methoxy-2-oxidanylidene-ethyl)sulfanylisoquinoline-3-carboxylic acid Openeye Name: 1-(2-methoxy-2-oxo-ethyl)sulfanylisoquinoline-3-carboxylic acid CAS Name: 1-[(2-methoxy-2-oxoethyl)thio]-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-methoxy-2-oxoethyl)sulfanylisoquinoline-3-carboxylic acid Traditional Name: 1-[(2-keto-2-methoxy-ethyl)thio]isoquinoline-3-carboxylic acid Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

COC(=O)CSC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C13H11NO4S/c1-18-11(15)7-19-12-9-5-3-2-4-8(9)6-10(14-12)13(16)17/h2-6H,7H2,1H3,(H,16,17)