2-[[methyl-[(1S)-1-thiophen-2-ylethyl]amino]methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[methyl-[(1S)-1-thiophen-2-ylethyl]amino]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[methyl-[(1S)-1-(2-thienyl)ethyl]amino]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[methyl-[(1S)-1-thiophen-2-ylethyl]amino]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[methyl-[(1S)-1-thiophen-2-ylethyl]amino]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[methyl-[(1S)-1-(2-thienyl)ethyl]amino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N(C)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CS1)N(C)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S/c1-10(13-7-4-8-24-13)17(2)9-18-15(20)11-5-3-6-12(19(22)23)14(11)16(18)21/h3-8,10H,9H2,1-2H3/t10-/m0/s1