ethyl 2-[4-[[(2-ethylphenyl)amino]methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-[[(2-ethylphenyl)amino]methylidene]-1,3-bis(oxidanylidene)isoquinolin-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-[(2-ethylanilino)methylene]-1,3-dioxo-2-isoquinolyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[4-[(2-ethylanilino)methylidene]-1,3-dioxo-2-isoquinolinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[(2-ethylanilino)methylidene]-1,3-dioxoisoquinolin-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-[(2-ethylanilino)methylene]-1,3-diketo-2-isoquinolyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H28N2O4S MolecularWeight: 500.60862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=C(C5=C(S4)CCCC5)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=C(C5=C(S4)CCCC5)C(=O)OCC

InChI

InChI=1S/C29H28N2O4S/c1-3-18-11-5-9-15-23(18)30-17-22-19-12-6-7-13-20(19)26(32)31(27(22)33)28-25(29(34)35-4-2)21-14-8-10-16-24(21)36-28/h5-7,9,11-13,15,17,30H,3-4,8,10,14,16H2,1-2H3