[4-[(4R)-2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl]-2-methoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(4R)-2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(4R)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(4R)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl]-2-methoxyphenyl] ester IUPAC Name: [4-[(4R)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(4R)-2-amino-3-cyano-5-keto-4,6,7,8-tetrahydrochromen-4-yl]-2-methoxy-phenyl] ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N)OC(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N2O5S/c1-27-17-10-12(7-8-15(17)29-22(26)18-6-3-9-30-18)19-13(11-23)21(24)28-16-5-2-4-14(25)20(16)19/h3,6-10,19H,2,4-5,24H2,1H3/t19-/m1/s1