2-[3-methyl-4-(thiophen-2-ylcarbonylamino)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[3-methyl-4-(thiophen-2-ylcarbonylamino)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[3-methyl-4-(thiophene-2-carbonylamino)phenyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[3-methyl-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[3-methyl-4-(thiophene-2-carbonylamino)phenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[3-methyl-4-(2-thenoylamino)phenyl]isoindoline-5-carboxylate Formula: C21H13N2O5S- MolecularWeight: 405.40332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-])NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-])NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H14N2O5S/c1-11-9-13(5-7-16(11)22-18(24)17-3-2-8-29-17)23-19(25)14-6-4-12(21(27)28)10-15(14)20(23)26/h2-10H,1H3,(H,22,24)(H,27,28)/p-1