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

Systemtic Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-nitro-benzamide Openeye Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-nitro-benzamide CAS Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-nitrobenzamide IUPAC Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-nitrobenzamide Traditional Name: N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-nitro-benzamide Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-10-5-6-15-13(7-10)14(9-18)17(24-15)19-16(21)11-3-2-4-12(8-11)20(22)23/h2-4,8,10H,5-7H2,1H3,(H,19,21)/t10-/m0/s1