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

Systemtic Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-nitro-benzamide Openeye Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-nitro-benzamide CAS Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-nitrobenzamide IUPAC Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-nitrobenzamide Traditional Name: N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-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/c19-11-15-14-8-3-1-2-4-9-16(14)25-18(15)20-17(22)12-6-5-7-13(10-12)21(23)24/h5-7,10H,1-4,8-9H2,(H,20,22)