5-chloranyl-N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-nitro-benzamide Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H14ClN3O3S/c1-9-2-5-15-11(6-9)13(8-19)17(25-15)20-16(22)12-7-10(18)3-4-14(12)21(23)24/h3-4,7,9H,2,5-6H2,1H3,(H,20,22)/t9-/m0/s1