(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(2-methylquinazolin-4-yl)sulfanyl-propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(2-methylquinazolin-4-yl)sulfanyl-propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(2-methylquinazolin-4-yl)sulfanyl-propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[(2-methyl-4-quinazolinyl)thio]-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(2-methylquinazolin-4-yl)sulfanylpropan-2-ol Traditional Name: (2S)-1-[(2-methylquinazolin-4-yl)thio]-3-piperonyloxy-propan-2-ol Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(COCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SC[C@H](COCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H20N2O4S/c1-13-21-17-5-3-2-4-16(17)20(22-13)27-11-15(23)10-24-9-14-6-7-18-19(8-14)26-12-25-18/h2-8,15,23H,9-12H2,1H3/t15-/m0/s1