(4S)-2-azanyl-4-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodanyl-phenyl]-7-oxidanyl-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodanyl-phenyl]-7-oxidanyl-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodo-phenyl]-7-hydroxy-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-7-hydroxy-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-7-hydroxy-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-[4-(3,4-dichlorobenzyl)oxy-3-ethoxy-5-iodo-phenyl]-7-hydroxy-4H-chromene-3-carbonitrile Formula: C25H19Cl2IN2O4 MolecularWeight: 609.23983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N)I)OCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@H]2C3=C(C=C(C=C3)O)OC(=C2C#N)N)I)OCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C25H19Cl2IN2O4/c1-2-32-22-9-14(8-20(28)24(22)33-12-13-3-6-18(26)19(27)7-13)23-16-5-4-15(31)10-21(16)34-25(30)17(23)11-29/h3-10,23,31H,2,12,30H2,1H3/t23-/m0/s1