[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-chloranylthieno[2,3-b]thiophene-5-carboxylate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-chloranylthieno[2,3-b]thiophene-5-carboxylate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-chlorothieno[2,3-b]thiophene-5-carboxylate CAS Name: 4-chloro-5-thieno[2,3-b]thiophenecarboxylic 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-chlorothieno[2,3-b]thiophene-5-carboxylate Traditional Name: 4-chlorothieno[2,3-b]thiophene-5-carboxylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C18H14ClNO3S2 MolecularWeight: 391.89166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=C(C4=C(S3)SC=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)C3=C(C4=C(S3)SC=C4)Cl

InChI

InChI=1S/C18H14ClNO3S2/c19-15-13-6-8-24-18(13)25-16(15)17(22)23-10-14(21)20-7-5-11-3-1-2-4-12(11)9-20/h1-4,6,8H,5,7,9-10H2