N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenoxy)ethanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenoxy)acetamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenoxy)acetamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenoxy)acetamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-nitrophenoxy)acetamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c19-10-13-12-6-2-1-3-9-16(12)26-18(13)20-17(22)11-25-15-8-5-4-7-14(15)21(23)24/h4-5,7-8H,1-3,6,9,11H2,(H,20,22)