5-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one

Systemtic Name: 5-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-keto-2-[2-(2-thienyl)pyrrolidino]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2C(=O)CCOC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1CC(N(C1)C(=O)CN2C(=O)CCOC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C19H20N2O3S/c22-18-9-11-24-16-7-2-1-5-14(16)21(18)13-19(23)20-10-3-6-15(20)17-8-4-12-25-17/h1-2,4-5,7-8,12,15H,3,6,9-11,13H2