(4R)-2-azanyl-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4R)-2-azanyl-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4R)-2-amino-4-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4R)-2-amino-4-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4R)-2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4R)-2-amino-5-keto-4-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C23H21N3O3S MolecularWeight: 419.49614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)CSC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N)CSC4=CC=CC=N4

InChI

InChI=1S/C23H21N3O3S/c1-28-18-9-8-14(11-15(18)13-30-20-7-2-3-10-26-20)21-16(12-24)23(25)29-19-6-4-5-17(27)22(19)21/h2-3,7-11,21H,4-6,13,25H2,1H3/t21-/m1/s1