methyl (4S)-6-azanyl-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: methyl (4S)-6-azanyl-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-2-thienyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-[4-(1-benzimidazolylmethyl)-5-methyl-2-thiophenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-4-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-[4-(benzimidazol-1-ylmethyl)-5-methyl-2-thienyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(S2)C)CN3C=NC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=C([C@H](C(=C(O1)N)C#N)C2=CC(=C(S2)C)CN3C=NC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C22H20N4O3S/c1-12-19(22(27)28-3)20(15(9-23)21(24)29-12)18-8-14(13(2)30-18)10-26-11-25-16-6-4-5-7-17(16)26/h4-8,11,20H,10,24H2,1-3H3/t20-/m1/s1