4-(2,5-dimethylthiophen-3-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(2,5-dimethylthiophen-3-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]-4-oxidanylidene-butanamide Openeye Name: 4-(2,5-dimethyl-3-thienyl)-N-[2-(2-nitroanilino)ethyl]-4-oxo-butanamide CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-N-[2-(2-nitroanilino)ethyl]-4-oxobutanamide IUPAC Name: 4-(2,5-dimethylthiophen-3-yl)-N-[2-(2-nitroanilino)ethyl]-4-oxobutanamide Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-N-[2-(2-nitroanilino)ethyl]butyramide Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)NCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)NCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-12-11-14(13(2)26-12)17(22)7-8-18(23)20-10-9-19-15-5-3-4-6-16(15)21(24)25/h3-6,11,19H,7-10H2,1-2H3,(H,20,23)