N-[2-ethyl-4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-(2-thienyl)acetamide CAS Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide IUPAC Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide Traditional Name: N-[2-ethyl-3-keto-4-(3-methoxypropyl)-5H-1,4-benzoxazepin-7-yl]-2-(2-thienyl)acetamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CS3)CCCOC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CS3)CCCOC

InChI

InChI=1S/C21H26N2O4S/c1-3-18-21(25)23(9-5-10-26-2)14-15-12-16(7-8-19(15)27-18)22-20(24)13-17-6-4-11-28-17/h4,6-8,11-12,18H,3,5,9-10,13-14H2,1-2H3,(H,22,24)