ethyl 4-(2,4-dimethylphenyl)-2-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2,4-dimethylphenyl)-2-[2-(3-oxidanylidenepiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2,4-dimethylphenyl)-2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-2-[[1-oxo-2-(3-oxo-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,4-dimethylphenyl)-2-[[2-(3-oxopiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2,4-dimethylphenyl)-2-[[2-(3-ketopiperazino)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CN3CCNC(=O)C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CN3CCNC(=O)C3

InChI

InChI=1S/C21H25N3O4S/c1-4-28-21(27)19-16(15-6-5-13(2)9-14(15)3)12-29-20(19)23-18(26)11-24-8-7-22-17(25)10-24/h5-6,9,12H,4,7-8,10-11H2,1-3H3,(H,22,25)(H,23,26)