3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]propanamide

Systemtic Name: 3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-[2-(phenylmethylsulfanyl)ethyl]propanamide Openeye Name: N-(2-benzylsulfanylethyl)-3-(4,7-dimethyl-2-oxo-chromen-3-yl)propanamide CAS Name: 3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-N-[2-(phenylmethylthio)ethyl]propanamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide Traditional Name: N-[2-(benzylthio)ethyl]-3-(2-keto-4,7-dimethyl-chromen-3-yl)propionamide Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)NCCSCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)NCCSCC3=CC=CC=C3)C

InChI

InChI=1S/C23H25NO3S/c1-16-8-9-19-17(2)20(23(26)27-21(19)14-16)10-11-22(25)24-12-13-28-15-18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,24,25)