N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-5-nitro-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide

Systemtic Name: N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-5-nitro-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide Openeye Name: N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-5-nitro-N-(tetrahydrofuran-2-ylmethyl)thiophene-3-carboxamide CAS Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-nitro-N-(2-oxolanylmethyl)-3-thiophenecarboxamide IUPAC Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-5-nitro-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide Traditional Name: N-[2-(2,3-dimethylanilino)-2-keto-ethyl]-5-nitro-N-(tetrahydrofurfuryl)thiophene-3-carboxamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CN(CC2CCCO2)C(=O)C3=CSC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CN(CC2CCCO2)C(=O)C3=CSC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O5S/c1-13-5-3-7-17(14(13)2)21-18(24)11-22(10-16-6-4-8-28-16)20(25)15-9-19(23(26)27)29-12-15/h3,5,7,9,12,16H,4,6,8,10-11H2,1-2H3,(H,21,24)