(4S)-2-azanyl-4-(3-chloranyl-4-prop-2-ynoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(3-chloranyl-4-prop-2-ynoxy-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(3-chloro-4-prop-2-ynoxy-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(3-chloro-4-prop-2-ynoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(3-chloro-4-prop-2-ynoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(3-chloro-4-propargyloxy-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OCC#C)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)N)C#N)C3=CC(=C(C=C3)OCC#C)Cl)C(=O)C1)C

InChI

InChI=1S/C21H19ClN2O3/c1-4-7-26-16-6-5-12(8-14(16)22)18-13(11-23)20(24)27-17-10-21(2,3)9-15(25)19(17)18/h1,5-6,8,18H,7,9-10,24H2,2-3H3/t18-/m0/s1