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

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-2-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-2-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)-2-thienyl]-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)-2-thiophenyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-2-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-methyl-4-[4-(1,2,4-triazol-1-ylmethyl)-2-thienyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CS2)CN3C=NC=N3)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC(=CS2)CN3C=NC=N3)C#N)N)C

InChI

InChI=1S/C17H17N5O3S/c1-3-24-17(23)14-10(2)25-16(19)12(5-18)15(14)13-4-11(7-26-13)6-22-9-20-8-21-22/h4,7-9,15H,3,6,19H2,1-2H3/t15-/m1/s1