ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylimidazo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylimidazo[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 2-(2-ethoxy-2-oxo-ethyl)sulfanylimidazo[2,1-a]isoquinoline-3-carboxylate CAS Name: 2-[(2-ethoxy-2-oxoethyl)thio]-3-imidazo[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethoxy-2-oxoethyl)sulfanylimidazo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)thio]imidaz[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(N2C=CC3=CC=CC=C3C2=N1)C(=O)OCC

Isomeric SMILES

CCOC(=O)CSC1=C(N2C=CC3=CC=CC=C3C2=N1)C(=O)OCC

InChI

InChI=1S/C18H18N2O4S/c1-3-23-14(21)11-25-17-15(18(22)24-4-2)20-10-9-12-7-5-6-8-13(12)16(20)19-17/h5-10H,3-4,11H2,1-2H3