2-ethynyl-4,6-dimethyl-8-phenyl-thieno[2,3-b][1,4]diazepine-5,7-dione

Systemtic Name: 2-ethynyl-4,6-dimethyl-8-phenyl-thieno[2,3-b][1,4]diazepine-5,7-dione Openeye Name: 2-ethynyl-4,6-dimethyl-8-phenyl-thieno[2,3-b][1,4]diazepine-5,7-dione CAS Name: 2-ethynyl-4,6-dimethyl-8-phenylthieno[2,3-b][1,4]diazepine-5,7-dione IUPAC Name: 2-ethynyl-4,6-dimethyl-8-phenylthieno[2,3-b][1,4]diazepine-5,7-dione Traditional Name: 2-ethynyl-4,6-dimethyl-8-phenyl-thieno[2,3-b][1,4]diazepine-5,7-quinone Formula: C17H14N2O2S MolecularWeight: 310.37026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(N(C1=O)C3=CC=CC=C3)SC(=C2)C#C)C

Isomeric SMILES

CC1C(=O)N(C2=C(N(C1=O)C3=CC=CC=C3)SC(=C2)C#C)C

InChI

InChI=1S/C17H14N2O2S/c1-4-13-10-14-17(22-13)19(12-8-6-5-7-9-12)16(21)11(2)15(20)18(14)3/h1,5-11H,2-3H3