(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C18H12N2O4S MolecularWeight: 352.36388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H12N2O4S/c21-16-13-5-2-1-4-11(13)8-14(20-16)18(22)24-10-12-9-23-17(19-12)15-6-3-7-25-15/h1-9H,10H2,(H,20,21)