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

Systemtic Name: (4S)-4-(3-methoxyphenyl)-5-oxidanylidene-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-4-(3-methoxyphenyl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-4-(3-methoxyphenyl)-5-oxo-2-(1-pyrrolyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-4-(3-methoxyphenyl)-5-oxo-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-5-keto-4-(3-methoxyphenyl)-2-pyrrol-1-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3/c1-25-15-7-4-6-14(12-15)19-16(13-22)21(23-10-2-3-11-23)26-18-9-5-8-17(24)20(18)19/h2-4,6-7,10-12,19H,5,8-9H2,1H3/t19-/m0/s1