(4R,5S)-3-azanyl-4-(4-butoxyphenyl)-5-ethanoyl-6-methylidene-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carbonitrile

Systemtic Name: (4R,5S)-3-azanyl-4-(4-butoxyphenyl)-5-ethanoyl-6-methylidene-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carbonitrile Openeye Name: (4R,5S)-5-acetyl-3-amino-4-(4-butoxyphenyl)-6-methylene-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carbonitrile CAS Name: (4R,5S)-5-acetyl-3-amino-4-(4-butoxyphenyl)-6-methylene-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carbonitrile IUPAC Name: (4R,5S)-5-acetyl-3-amino-4-(4-butoxyphenyl)-6-methylidene-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carbonitrile Traditional Name: (4R,5S)-5-acetyl-3-amino-4-(4-butoxyphenyl)-6-methylene-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carbonitrile Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(C(=C)NC3=C2C(=C(S3)C#N)N)C(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC3=C2C(=C(S3)C#N)N)C(=O)C

InChI

InChI=1S/C21H23N3O2S/c1-4-5-10-26-15-8-6-14(7-9-15)18-17(13(3)25)12(2)24-21-19(18)20(23)16(11-22)27-21/h6-9,17-18,24H,2,4-5,10,23H2,1,3H3/t17-,18-/m0/s1