7-[2-(4-oxidanyl-4-thiophen-2-yl-piperidin-1-yl)propanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 7-[2-(4-oxidanyl-4-thiophen-2-yl-piperidin-1-yl)propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 7-[2-[4-hydroxy-4-(2-thienyl)-1-piperidyl]propanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 7-[2-(4-hydroxy-4-thiophen-2-yl-1-piperidinyl)-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 7-[2-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)propanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 7-[2-[4-hydroxy-4-(2-thienyl)piperidino]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)NC(=O)CO2)N3CCC(CC3)(C4=CC=CS4)O

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)NC(=O)CO2)N3CCC(CC3)(C4=CC=CS4)O

InChI

InChI=1S/C20H22N2O4S/c1-13(22-8-6-20(25,7-9-22)17-3-2-10-27-17)19(24)14-4-5-15-16(11-14)26-12-18(23)21-15/h2-5,10-11,13,25H,6-9,12H2,1H3,(H,21,23)