3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-6,7-didehydro-3H-2-benzofuran-1-one

Systemtic Name: 3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-6,7-didehydro-3H-2-benzofuran-1-one Openeye Name: 3-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-6,7-didehydro-3H-isobenzofuran-1-one CAS Name: 3-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-6,7-didehydro-3H-isobenzofuran-1-one IUPAC Name: 3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-6,7-didehydro-3H-2-benzofuran-1-one Traditional Name: 3-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-6,7-didehydro-3H-isobenzofuran-1-one Formula: C17H9N3O4S MolecularWeight: 351.33606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC3C4=C(C#CC=C4)C(=O)O3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC3C4=C(C#CC=C4)C(=O)O3

InChI

InChI=1S/C17H9N3O4S/c21-16-13-7-2-1-6-12(13)15(24-16)19-17-18-14(9-25-17)10-4-3-5-11(8-10)20(22)23/h1,3-6,8-9,15H,(H,18,19)