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

Systemtic Name: ethyl 2-[2-[4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonyloxyethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]oxyacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C31H27ClN2O7S2 MolecularWeight: 639.13828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C31H27ClN2O7S2/c1-2-40-31(37)28-24(21-9-4-3-5-10-21)19-42-29(28)33-27(35)18-41-30(36)22-12-13-25(32)26(16-22)43(38,39)34-15-14-20-8-6-7-11-23(20)17-34/h3-13,16,19H,2,14-15,17-18H2,1H3,(H,33,35)