1-(3-methoxy-3-oxidanylidene-propyl)sulfanylisoquinoline-3-carboxylic acid

Systemtic Name: 1-(3-methoxy-3-oxidanylidene-propyl)sulfanylisoquinoline-3-carboxylic acid Openeye Name: 1-(3-methoxy-3-oxo-propyl)sulfanylisoquinoline-3-carboxylic acid CAS Name: 1-[(3-methoxy-3-oxopropyl)thio]-3-isoquinolinecarboxylic acid IUPAC Name: 1-(3-methoxy-3-oxopropyl)sulfanylisoquinoline-3-carboxylic acid Traditional Name: 1-[(3-keto-3-methoxy-propyl)thio]isoquinoline-3-carboxylic acid Formula: C14H13NO4S MolecularWeight: 291.32232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

COC(=O)CCSC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H13NO4S/c1-19-12(16)6-7-20-13-10-5-3-2-4-9(10)8-11(15-13)14(17)18/h2-5,8H,6-7H2,1H3,(H,17,18)