[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2,3-dithiophen-2-ylprop-2-enoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2,3-dithiophen-2-ylprop-2-enoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2,3-bis(2-thienyl)prop-2-enoate CAS Name: 2,3-dithiophen-2-yl-2-propenoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2,3-dithiophen-2-ylprop-2-enoate Traditional Name: 2,3-bis(2-thienyl)acrylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C22H19NO3S2 MolecularWeight: 409.52116

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C(=CC3=CC=CS3)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C(=CC3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C22H19NO3S2/c24-21(23-10-9-16-5-1-2-6-17(16)14-23)15-26-22(25)19(20-8-4-12-28-20)13-18-7-3-11-27-18/h1-8,11-13H,9-10,14-15H2