N-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-[[(2S)-2-oxidanyl-2-phenyl-ethoxy]methyl]-7-propyl-thieno[2,3-b]pyridine-5-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-[[(2S)-2-oxidanyl-2-phenyl-ethoxy]methyl]-7-propyl-thieno[2,3-b]pyridine-5-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[[(2S)-2-hydroxy-2-phenyl-ethoxy]methyl]-4-oxo-7-propyl-thieno[2,3-b]pyridine-5-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[[(2S)-2-hydroxy-2-phenylethoxy]methyl]-4-oxo-7-propyl-5-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[[(2S)-2-hydroxy-2-phenylethoxy]methyl]-4-oxo-7-propylthieno[2,3-b]pyridine-5-carboxamide Traditional Name: N-(4-chlorobenzyl)-2-[[(2S)-2-hydroxy-2-phenyl-ethoxy]methyl]-4-keto-7-propyl-thieno[2,3-b]pyridine-5-carboxamide Formula: C27H27ClN2O4S MolecularWeight: 511.03228

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=O)C2=C1SC(=C2)COCC(C3=CC=CC=C3)O)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCN1C=C(C(=O)C2=C1SC(=C2)COC[C@H](C3=CC=CC=C3)O)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H27ClN2O4S/c1-2-12-30-15-23(26(33)29-14-18-8-10-20(28)11-9-18)25(32)22-13-21(35-27(22)30)16-34-17-24(31)19-6-4-3-5-7-19/h3-11,13,15,24,31H,2,12,14,16-17H2,1H3,(H,29,33)/t24-/m1/s1