N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]-1-oxidanylidene-isochromene-3-carboxamide

Systemtic Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-1-oxo-isochromene-3-carboxamide CAS Name: N-[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-1-oxoisochromene-3-carboxamide Traditional Name: N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]-1-keto-isochromene-3-carboxamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3C(=O)O2)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=CC=CC=C3C(=O)O2)C#N)C

InChI

InChI=1S/C21H19N3O4S/c1-4-24(5-2)20(26)17-12(3)15(11-22)19(29-17)23-18(25)16-10-13-8-6-7-9-14(13)21(27)28-16/h6-10H,4-5H2,1-3H3,(H,23,25)