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

Systemtic Name: ethyl 5-[[2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H23ClN2O5S2 MolecularWeight: 519.03282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN2O5S2/c1-3-32-24(29)22-15(2)12-21(33-22)26-23(28)19-13-18(8-9-20(19)25)34(30,31)27-11-10-16-6-4-5-7-17(16)14-27/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,26,28)