1-[methyl(thiophen-3-ylmethyl)amino]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[methyl(thiophen-3-ylmethyl)amino]isoquinoline-3-carboxylic acid Openeye Name: 1-[methyl(3-thienylmethyl)amino]isoquinoline-3-carboxylic acid CAS Name: 1-[methyl(3-thiophenylmethyl)amino]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[methyl(thiophen-3-ylmethyl)amino]isoquinoline-3-carboxylic acid Traditional Name: 1-[methyl(3-thenyl)amino]isoquinoline-3-carboxylic acid Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN(CC1=CSC=C1)C2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H14N2O2S/c1-18(9-11-6-7-21-10-11)15-13-5-3-2-4-12(13)8-14(17-15)16(19)20/h2-8,10H,9H2,1H3,(H,19,20)