3-methoxy-N-[2-[5-(methylsulfanylmethyl)furan-2-yl]carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

Systemtic Name: 3-methoxy-N-[2-[5-(methylsulfanylmethyl)furan-2-yl]carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Openeye Name: 3-methoxy-N-[2-[5-(methylsulfanylmethyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide CAS Name: 3-methoxy-N-[2-[[5-[(methylthio)methyl]-2-furanyl]-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: 3-methoxy-N-[2-[5-(methylsulfanylmethyl)furan-2-carbonyl]-3,4-dihydro-1H-isoquinolin-7-yl]propanamide Traditional Name: 3-methoxy-N-[2-[5-[(methylthio)methyl]-2-furoyl]-3,4-dihydro-1H-isoquinolin-7-yl]propionamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)NC1=CC2=C(CCN(C2)C(=O)C3=CC=C(O3)CSC)C=C1

Isomeric SMILES

COCCC(=O)NC1=CC2=C(CCN(C2)C(=O)C3=CC=C(O3)CSC)C=C1

InChI

InChI=1S/C20H24N2O4S/c1-25-10-8-19(23)21-16-4-3-14-7-9-22(12-15(14)11-16)20(24)18-6-5-17(26-18)13-27-2/h3-6,11H,7-10,12-13H2,1-2H3,(H,21,23)