4-(5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)furan-2-carbonitrile

Systemtic Name: 4-(5-methyl-2-oxidanylidene-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)furan-2-carbonitrile Openeye Name: 4-[5-methyl-2-oxo-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]furan-2-carbonitrile CAS Name: 4-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)-2-furancarbonitrile IUPAC Name: 4-(5-methyl-2-oxo-5-thiophen-2-yl-1H-4,1-benzoxazepin-7-yl)furan-2-carbonitrile Traditional Name: 4-[2-keto-5-methyl-5-(2-thienyl)-1H-4,1-benzoxazepin-7-yl]-2-furonitrile Formula: C19H14N2O3S MolecularWeight: 350.39106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=COC(=C3)C#N)NC(=O)CO1)C4=CC=CS4

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=COC(=C3)C#N)NC(=O)CO1)C4=CC=CS4

InChI

InChI=1S/C19H14N2O3S/c1-19(17-3-2-6-25-17)15-8-12(13-7-14(9-20)23-10-13)4-5-16(15)21-18(22)11-24-19/h2-8,10H,11H2,1H3,(H,21,22)