methanol; methyl 2-azanyl-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methanol; methyl 2-azanyl-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: methanol; methyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-amino-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester; methanol IUPAC Name: methanol; methyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid methyl ester; methanol Formula: C33H40N4O5S2 MolecularWeight: 636.8245

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Descriptors Computed from Structure

Canonical SMILES:

CO.COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N.COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N

Isomeric SMILES

CO.COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N.COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)N

InChI

InChI=1S/2C16H18N2O2S.CH4O/c2*1-20-16(19)14-12-7-8-18(10-13(12)21-15(14)17)9-11-5-3-2-4-6-11;1-2/h2*2-6H,7-10,17H2,1H3;2H,1H3