1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-(quinazolin-4-ylthio)ethanone Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)CSC2=NC=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H21N3O3S/c26-21(13-29-22-16-4-1-2-5-17(16)23-14-24-22)25-9-3-6-18(25)15-7-8-19-20(12-15)28-11-10-27-19/h1-2,4-5,7-8,12,14,18H,3,6,9-11,13H2/t18-/m1/s1