N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-oxidanylidene-isochromene-3-carboxamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-oxo-isochromene-3-carboxamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-oxoisochromene-3-carboxamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-keto-isochromene-3-carboxamide Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H16N2O3S/c21-11-15-14-8-2-1-3-9-17(14)26-19(15)22-18(23)16-10-12-6-4-5-7-13(12)20(24)25-16/h4-7,10H,1-3,8-9H2,(H,22,23)