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

Systemtic Name: 5-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Openeye Name: 5-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one CAS Name: 5-[2-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one IUPAC Name: 5-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Traditional Name: 5-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-keto-ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2C(=O)CCOC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(N(C1)C(=O)CN2C(=O)CCOC3=CC=CC=C32)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3O3S/c26-20-11-13-28-18-9-3-2-7-16(18)25(20)14-21(27)24-12-5-8-17(24)22-23-15-6-1-4-10-19(15)29-22/h1-4,6-7,9-10,17H,5,8,11-14H2