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

Systemtic Name: [4-[(4R)-2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl]phenyl] thiophene-2-carboxylate Openeye Name: [4-[(4R)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]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]phenyl] ester IUPAC Name: [4-[(4R)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(4R)-2-amino-3-cyano-5-keto-4,6,7,8-tetrahydrochromen-4-yl]phenyl] ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CS4)C(=O)C1

Isomeric SMILES

C1CC2=C([C@@H](C(=C(O2)N)C#N)C3=CC=C(C=C3)OC(=O)C4=CC=CS4)C(=O)C1

InChI

InChI=1S/C21H16N2O4S/c22-11-14-18(19-15(24)3-1-4-16(19)27-20(14)23)12-6-8-13(9-7-12)26-21(25)17-5-2-10-28-17/h2,5-10,18H,1,3-4,23H2/t18-/m1/s1