(5E)-3-(3-chloranyl-4-methoxy-phenyl)-5-(furan-2-ylmethylidene)-2-(2-oxidanylidenecycloheptyl)sulfanyl-imidazol-4-one

Systemtic Name: (5E)-3-(3-chloranyl-4-methoxy-phenyl)-5-(furan-2-ylmethylidene)-2-(2-oxidanylidenecycloheptyl)sulfanyl-imidazol-4-one Openeye Name: (5E)-3-(3-chloro-4-methoxy-phenyl)-5-(2-furylmethylene)-2-(2-oxocycloheptyl)sulfanyl-imidazol-4-one CAS Name: (5E)-3-(3-chloro-4-methoxyphenyl)-5-(2-furanylmethylidene)-2-[(2-oxocycloheptyl)thio]-4-imidazolone IUPAC Name: (5E)-3-(3-chloro-4-methoxyphenyl)-5-(furan-2-ylmethylidene)-2-(2-oxocycloheptyl)sulfanylimidazol-4-one Traditional Name: (5E)-3-(3-chloro-4-methoxy-phenyl)-5-(2-furfurylidene)-2-[(2-ketocycloheptyl)thio]-2-imidazolin-4-one Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=CO3)N=C2SC4CCCCCC4=O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC=CO3)/N=C2SC4CCCCCC4=O)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-28-19-10-9-14(12-16(19)23)25-21(27)17(13-15-6-5-11-29-15)24-22(25)30-20-8-4-2-3-7-18(20)26/h5-6,9-13,20H,2-4,7-8H2,1H3/b17-13+