(4S)-4-(2,3-dimethoxyphenyl)-5-oxidanylidene-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4S)-4-(2,3-dimethoxyphenyl)-5-oxidanylidene-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-4-(2,3-dimethoxyphenyl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-4-(2,3-dimethoxyphenyl)-5-oxo-2-(1-pyrrolyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-4-(2,3-dimethoxyphenyl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-4-(2,3-dimethoxyphenyl)-5-keto-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2C(=C(OC3=C2C(=O)CCC3)N4C=CC=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@H]2C(=C(OC3=C2C(=O)CCC3)N4C=CC=C4)C#N

InChI

InChI=1S/C22H20N2O4/c1-26-18-10-5-7-14(21(18)27-2)19-15(13-23)22(24-11-3-4-12-24)28-17-9-6-8-16(25)20(17)19/h3-5,7,10-12,19H,6,8-9H2,1-2H3/t19-/m0/s1