4-azanyl-2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)N

InChI

InChI=1S/C21H19N3O3S/c1-12-9-16(13(2)23(12)10-14-5-4-8-28-14)18(25)11-24-20(26)15-6-3-7-17(22)19(15)21(24)27/h3-9H,10-11,22H2,1-2H3