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

Systemtic Name: 3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide Openeye Name: 3-(4,7-dimethyl-2-oxo-chromen-3-yl)-N-[2-(3-thienylmethylsulfanyl)ethyl]propanamide CAS Name: 3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-N-[2-(3-thiophenylmethylthio)ethyl]propanamide IUPAC Name: 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]propanamide Traditional Name: 3-(2-keto-4,7-dimethyl-chromen-3-yl)-N-[2-(3-thenylthio)ethyl]propionamide Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3S2/c1-14-3-4-17-15(2)18(21(24)25-19(17)11-14)5-6-20(23)22-8-10-27-13-16-7-9-26-12-16/h3-4,7,9,11-12H,5-6,8,10,13H2,1-2H3,(H,22,23)