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

Systemtic Name: 5-[2-oxidanylidene-2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-oxo-2-[2-(3-thienyl)pyrrolidin-1-yl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-oxo-2-[2-(3-thiophenyl)-1-pyrrolidinyl]ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-oxo-2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-keto-2-[2-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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