2-(2-chloranyl-4-nitro-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-(2-chloranyl-4-nitro-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-(2-chloro-4-nitro-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-(2-chloro-4-nitrophenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(2-chloro-4-nitrophenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(2-chloro-4-nitro-phenoxy)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN3O4S/c1-10-2-4-12-13(8-20)18(27-16(12)6-10)21-17(23)9-26-15-5-3-11(22(24)25)7-14(15)19/h3,5,7,10H,2,4,6,9H2,1H3,(H,21,23)