N-(3-chloranyl-4-methoxy-phenyl)-2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]acetamide Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)NC3=CC(=C(C=C3)OC)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSCC(=O)NC3=CC(=C(C=C3)OC)Cl)C

InChI

InChI=1S/C21H20ClNO4S/c1-12-6-16-14(8-21(25)27-19(16)7-13(12)2)10-28-11-20(24)23-15-4-5-18(26-3)17(22)9-15/h4-9H,10-11H2,1-3H3,(H,23,24)