(4S)-2-azanyl-4-(3-ethoxy-4-prop-2-enoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(3-ethoxy-4-prop-2-enoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-4-(4-allyloxy-3-ethoxy-phenyl)-2-amino-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(3-ethoxy-4-prop-2-enoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(3-ethoxy-4-prop-2-enoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-4-(4-allyloxy-3-ethoxy-phenyl)-2-amino-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OCC=C

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N)OCC=C

InChI

InChI=1S/C21H22N2O4/c1-3-10-26-16-9-8-13(11-18(16)25-4-2)19-14(12-22)21(23)27-17-7-5-6-15(24)20(17)19/h3,8-9,11,19H,1,4-7,10,23H2,2H3/t19-/m0/s1