2-azanyl-7-(hydroxymethyl)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

Systemtic Name: 2-azanyl-7-(hydroxymethyl)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Openeye Name: 2-amino-6-benzyl-7-(hydroxymethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid CAS Name: 2-amino-7-(hydroxymethyl)-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid IUPAC Name: 2-amino-6-benzyl-7-(hydroxymethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Traditional Name: 2-amino-6-benzyl-7-methylol-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C(=C(S2)N)C(=O)O)CO)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C2=C1C(=C(S2)N)C(=O)O)CO)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N2O3S/c17-15-13(16(20)21)11-6-7-18(12(9-19)14(11)22-15)8-10-4-2-1-3-5-10/h1-5,12,19H,6-9,17H2,(H,20,21)