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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H18ClNO4S/c20-17-7-6-16(26-17)15(22)5-8-19(24)25-12-18(23)21-10-9-13-3-1-2-4-14(13)11-21/h1-4,6-7H,5,8-12H2