[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetate Traditional Name: 2-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C21H18ClNO5S3 MolecularWeight: 496.01932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)C3=CC=C(S3)Cl)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)OCC(=O)C3=CC=C(S3)Cl)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H18ClNO5S3/c22-19-8-7-18(30-19)17(24)13-28-20(25)12-16-15-5-2-1-4-14(15)9-10-23(16)31(26,27)21-6-3-11-29-21/h1-8,11,16H,9-10,12-13H2