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

Systemtic Name: (4S)-2-azanyl-4-(3-chloranyl-5-ethoxy-4-prop-2-enoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4S)-4-(4-allyloxy-3-chloro-5-ethoxy-phenyl)-2-amino-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(3-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4S)-4-(4-allyloxy-3-chloro-5-ethoxy-phenyl)-2-amino-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4/c1-3-8-27-20-14(22)9-12(10-17(20)26-4-2)18-13(11-23)21(24)28-16-7-5-6-15(25)19(16)18/h3,9-10,18H,1,4-8,24H2,2H3/t18-/m0/s1