N,N-dimethylmethanamide; [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: N,N-dimethylmethanamide; [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: N,N-dimethylformamide; [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester; N,N-dimethylformamide IUPAC Name: N,N-dimethylformamide; [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester; N,N-dimethylformamide Formula: C23H28N4O7S MolecularWeight: 504.55602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C)[N+](=O)[O-].CN(C)C=O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C)[N+](=O)[O-].CN(C)C=O

InChI

InChI=1S/C20H21N3O6S.C3H7NO/c1-11-7-8-14(15(9-11)23(27)28)22-17(25)10-29-20(26)18-13-5-3-4-6-16(13)30-19(18)21-12(2)24;1-4(2)3-5/h7-9H,3-6,10H2,1-2H3,(H,21,24)(H,22,25);3H,1-2H3