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

Systemtic Name: 7-[(1S,2S)-1-oxidanyl-2-(4-oxidanyl-4-thiophen-2-yl-piperidin-1-yl)propyl]-4H-1,4-benzoxazin-3-one Openeye Name: 7-[(1S,2S)-1-hydroxy-2-[4-hydroxy-4-(2-thienyl)-1-piperidyl]propyl]-4H-1,4-benzoxazin-3-one CAS Name: 7-[(1S,2S)-1-hydroxy-2-(4-hydroxy-4-thiophen-2-yl-1-piperidinyl)propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 7-[(1S,2S)-1-hydroxy-2-(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)propyl]-4H-1,4-benzoxazin-3-one Traditional Name: 7-[(1S,2S)-1-hydroxy-2-[4-hydroxy-4-(2-thienyl)piperidino]propyl]-4H-1,4-benzoxazin-3-one Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]([C@H](C1=CC2=C(C=C1)NC(=O)CO2)O)N3CCC(CC3)(C4=CC=CS4)O

InChI

InChI=1S/C20H24N2O4S/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/h2-5,10-11,13,19,24-25H,6-9,12H2,1H3,(H,21,23)/t13-,19+/m0/s1