6-[1-[(3-methylthiophen-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride

Systemtic Name: 6-[1-[(3-methylthiophen-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride Openeye Name: 6-[1-[(3-methyl-2-thienyl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride CAS Name: 6-[1-[(3-methyl-2-thiophenyl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride IUPAC Name: 6-[1-[(3-methylthiophen-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride Traditional Name: 6-[1-[(3-methyl-2-thienyl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one hydrochloride Formula: C16H19ClN2O2S MolecularWeight: 338.85226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC(C)C2=CC3=C(C=C2)OCC(=O)N3.Cl

Isomeric SMILES

CC1=C(SC=C1)CNC(C)C2=CC3=C(C=C2)OCC(=O)N3.Cl

InChI

InChI=1S/C16H18N2O2S.ClH/c1-10-5-6-21-15(10)8-17-11(2)12-3-4-14-13(7-12)18-16(19)9-20-14;/h3-7,11,17H,8-9H2,1-2H3,(H,18,19);1H