ethyl (4S)-2-azanyl-4-(1,5-dimethylpyrazol-4-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(1,5-dimethylpyrazol-4-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(1,5-dimethylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-4-(1,5-dimethyl-4-pyrazolyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(1,5-dimethylpyrazol-4-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-4-(1,5-dimethylpyrazol-4-yl)-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C(N(N=C3)C)C)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@@H]1C3=C(N(N=C3)C)C)C(=O)CCC2)N

InChI

InChI=1S/C17H21N3O4/c1-4-23-17(22)15-13(10-8-19-20(3)9(10)2)14-11(21)6-5-7-12(14)24-16(15)18/h8,13H,4-7,18H2,1-3H3/t13-/m0/s1