N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-oxidanylidene-isochromene-3-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-oxo-isochromene-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-oxoisochromene-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-keto-isochromene-3-carboxamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=O)O3)C#N

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC4=CC=CC=C4C(=O)O3)C#N

InChI

InChI=1S/C21H18N2O3S/c22-12-16-15-9-3-1-2-4-10-18(15)27-20(16)23-19(24)17-11-13-7-5-6-8-14(13)21(25)26-17/h5-8,11H,1-4,9-10H2,(H,23,24)