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

Systemtic Name: ethyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C29H26N2O5S2 MolecularWeight: 546.65714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C29H26N2O5S2/c1-2-36-29(33)27-25(18-26(37-27)21-9-4-3-5-10-21)30-28(32)22-12-14-24(15-13-22)38(34,35)31-17-16-20-8-6-7-11-23(20)19-31/h3-15,18H,2,16-17,19H2,1H3,(H,30,32)