4-ethanoyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-ethanoyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-acetyl-N-[2-(3-thienylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-acetyl-N-[2-(3-thiophenylmethylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-acetyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-acetyl-N-[2-(3-thenylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSCC3=CSC=C3

Isomeric SMILES

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSCC3=CSC=C3

InChI

InChI=1S/C18H20N2O3S2/c1-13(21)20-10-17(23-16-5-3-2-4-15(16)20)18(22)19-7-9-25-12-14-6-8-24-11-14/h2-6,8,11,17H,7,9-10,12H2,1H3,(H,19,22)