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

Systemtic Name: (4S)-5-oxidanylidene-2-pyrrol-1-yl-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-5-oxo-2-pyrrol-1-yl-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-5-oxo-2-(1-pyrrolyl)-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-5-oxo-2-pyrrol-1-yl-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-5-keto-2-pyrrol-1-yl-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N4C=CC=C4)C#N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@H]2C(=C(OC3=C2C(=O)CCC3)N4C=CC=C4)C#N)OC)OC

InChI

InChI=1S/C23H22N2O5/c1-27-18-10-9-14(21(28-2)22(18)29-3)19-15(13-24)23(25-11-4-5-12-25)30-17-8-6-7-16(26)20(17)19/h4-5,9-12,19H,6-8H2,1-3H3/t19-/m0/s1