N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methyl-4-nitro-benzamide

Systemtic Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methyl-4-nitro-benzamide Openeye Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methyl-4-nitro-benzamide CAS Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methyl-4-nitro-benzamide Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O3S/c1-12-10-13(8-9-16(12)22(24)25)18(23)21-19-15(11-20)14-6-4-2-3-5-7-17(14)26-19/h8-10H,2-7H2,1H3,(H,21,23)