3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-(isothiochroman-4-ylamino)-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-(isothiochroman-4-ylamino)-1-pyrrolidino-propan-1-one Formula: C16H22N2OS MolecularWeight: 290.42368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCNC2CSCC3=CC=CC=C23

Isomeric SMILES

C1CCN(C1)C(=O)CCNC2CSCC3=CC=CC=C23

InChI

InChI=1S/C16H22N2OS/c19-16(18-9-3-4-10-18)7-8-17-15-12-20-11-13-5-1-2-6-14(13)15/h1-2,5-6,15,17H,3-4,7-12H2