2-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-(3-methylpyrrolidin-1-yl)-2-sulfanyl-ethanone

Systemtic Name: 2-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-(3-methylpyrrolidin-1-yl)-2-sulfanyl-ethanone Openeye Name: 2-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-1-(3-methylpyrrolidin-1-yl)-2-sulfanyl-ethanone CAS Name: 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-2-mercapto-1-(3-methyl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-(3-methylpyrrolidin-1-yl)-2-sulfanylethanone Traditional Name: 2-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-2-mercapto-1-(3-methylpyrrolidino)ethanone Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C(=O)C(C2=CC(=C(C=C2)OC)OCC3CC3)S

Isomeric SMILES

CC1CCN(C1)C(=O)C(C2=CC(=C(C=C2)OC)OCC3CC3)S

InChI

InChI=1S/C18H25NO3S/c1-12-7-8-19(10-12)18(20)17(23)14-5-6-15(21-2)16(9-14)22-11-13-3-4-13/h5-6,9,12-13,17,23H,3-4,7-8,10-11H2,1-2H3