N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Openeye Name: N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide CAS Name: N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophenecarboxamide IUPAC Name: N-[4-[2-(2-methoxyphenyl)ethyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Traditional Name: N-[3-keto-4-[2-(2-methoxyphenyl)ethyl]-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCN2CC3=C(C=CC(=C3)NC(=O)C4=CC=CS4)OCC2=O

Isomeric SMILES

COC1=CC=CC=C1CCN2CC3=C(C=CC(=C3)NC(=O)C4=CC=CS4)OCC2=O

InChI

InChI=1S/C23H22N2O4S/c1-28-19-6-3-2-5-16(19)10-11-25-14-17-13-18(8-9-20(17)29-15-22(25)26)24-23(27)21-7-4-12-30-21/h2-9,12-13H,10-11,14-15H2,1H3,(H,24,27)