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

Systemtic Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-nitro-benzamide Openeye Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-nitro-benzamide CAS Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-nitrobenzamide IUPAC Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-nitrobenzamide Traditional Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-nitro-benzamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C#N

InChI

InChI=1S/C18H17N3O3S/c19-11-14-12-7-3-1-2-4-10-16(12)25-18(14)20-17(22)13-8-5-6-9-15(13)21(23)24/h5-6,8-9H,1-4,7,10H2,(H,20,22)