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

Systemtic Name: ethyl (4S)-2-azanyl-5-oxidanylidene-4-(1,3,5-trimethylpyrazol-4-yl)-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-5-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-5-oxo-4-(1,3,5-trimethyl-4-pyrazolyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-5-oxo-4-(1,3,5-trimethylpyrazol-4-yl)-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-4-(1,3,5-trimethylpyrazol-4-yl)-4,6,7,8-tetrahydrochromene-3-carboxylic acid ethyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C3=C(N(N=C3C)C)C)C(=O)CCC2)N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@@H]1C3=C(N(N=C3C)C)C)C(=O)CCC2)N

InChI

InChI=1S/C18H23N3O4/c1-5-24-18(23)16-15(13-9(2)20-21(4)10(13)3)14-11(22)7-6-8-12(14)25-17(16)19/h15H,5-8,19H2,1-4H3/t15-/m0/s1