N-[(1S)-1-(2-methylphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(1S)-1-(2-methylphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[(1S)-1-(o-tolyl)ethyl]benzothiophene-2-carboxamide CAS Name: N-[(1S)-1-(2-methylphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(1S)-1-(2-methylphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[(1S)-1-(o-tolyl)ethyl]benzothiophene-2-carboxamide Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O3S/c1-11-5-3-4-6-15(11)12(2)19-18(21)17-10-13-9-14(20(22)23)7-8-16(13)24-17/h3-10,12H,1-2H3,(H,19,21)/t12-/m0/s1