4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]butyramide Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C#CC4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C#CC4=CC=CS4

InChI

InChI=1S/C23H17N3O5S/c27-22(24-17-5-1-4-16(14-17)8-10-19-6-3-13-32-19)7-2-12-25-20-11-9-18(26(29)30)15-21(20)31-23(25)28/h1,3-6,9,11,13-15H,2,7,12H2,(H,24,27)