ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C28H25N3O5S2 MolecularWeight: 547.6452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O5S2/c1-2-36-27(33)25-24(20-9-4-3-5-10-20)29-28(37-25)30-26(32)21-12-14-23(15-13-21)38(34,35)31-17-16-19-8-6-7-11-22(19)18-31/h3-15H,2,16-18H2,1H3,(H,29,30,32)