[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-thiophen-3-ylethanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-thiophen-3-ylethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(3-thienyl)acetate CAS Name: 2-(3-thiophenyl)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-thiophen-3-ylacetate Traditional Name: 2-(3-thienyl)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CC3=CSC=C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CC3=CSC=C3

InChI

InChI=1S/C17H17NO3S/c19-16(11-21-17(20)9-13-6-8-22-12-13)18-7-5-14-3-1-2-4-15(14)10-18/h1-4,6,8,12H,5,7,9-11H2