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

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C18H12N2O3S2 MolecularWeight: 368.42948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O3S2/c21-16-14-4-2-1-3-11(14)7-15(20-16)18(22)23-8-13-10-25-17(19-13)12-5-6-24-9-12/h1-7,9-10H,8H2,(H,20,21)