[4-[(4R)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]-2-ethoxy-6-nitro-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(4R)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]-2-ethoxy-6-nitro-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(4R)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-2-ethoxy-6-nitro-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(4R)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl]-2-ethoxy-6-nitrophenyl] ester IUPAC Name: [4-[(4R)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-2-ethoxy-6-nitrophenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(4R)-2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl]-2-ethoxy-6-nitro-phenyl] ester Formula: C25H23N3O7S MolecularWeight: 509.53102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OC(=O)C2=CC=CS2)[N+](=O)[O-])C3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OC(=O)C2=CC=CS2)[N+](=O)[O-])[C@@H]3C(=C(OC4=C3C(=O)CC(C4)(C)C)N)C#N

InChI

InChI=1S/C25H23N3O7S/c1-4-33-17-9-13(8-15(28(31)32)22(17)35-24(30)19-6-5-7-36-19)20-14(12-26)23(27)34-18-11-25(2,3)10-16(29)21(18)20/h5-9,20H,4,10-11,27H2,1-3H3/t20-/m1/s1