(4S)-2-azanyl-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-5-keto-4-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)CSC4=CC=CC=N4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)N)C#N)C3=CC(=C(C=C3)OC)CSC4=CC=CC=N4)C(=O)C1)C

InChI

InChI=1S/C25H25N3O3S/c1-25(2)11-18(29)23-20(12-25)31-24(27)17(13-26)22(23)15-7-8-19(30-3)16(10-15)14-32-21-6-4-5-9-28-21/h4-10,22H,11-12,14,27H2,1-3H3/t22-/m0/s1