[4-[(4R)-6-azanyl-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(4R)-6-azanyl-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(4R)-6-amino-5-cyano-3-isopropyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(4R)-6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenyl] ester IUPAC Name: [4-[(4R)-6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(4R)-6-amino-5-cyano-3-isopropyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitro-phenyl] ester Formula: C23H21N5O6S MolecularWeight: 495.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OC(=O)C2=CC=CS2)[N+](=O)[O-])C3C(=C(OC4=NNC(=C34)C(C)C)N)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OC(=O)C2=CC=CS2)[N+](=O)[O-])[C@@H]3C(=C(OC4=NNC(=C34)C(C)C)N)C#N

InChI

InChI=1S/C23H21N5O6S/c1-4-32-15-9-12(8-14(28(30)31)20(15)33-23(29)16-6-5-7-35-16)17-13(10-24)21(25)34-22-18(17)19(11(2)3)26-27-22/h5-9,11,17H,4,25H2,1-3H3,(H,26,27)/t17-/m1/s1