methyl 3-[2-[(2S)-1-(4-dimethylaminophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[(2S)-1-(4-dimethylaminophenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[(2S)-1-[4-(dimethylamino)benzoyl]-3-oxo-piperazin-2-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(2S)-1-[(4-dimethylaminophenyl)-oxomethyl]-3-oxo-2-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(2S)-1-[4-(dimethylamino)benzoyl]-3-oxopiperazin-2-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(2S)-1-[4-(dimethylamino)benzoyl]-3-keto-piperazin-2-yl]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCNC(=O)C2CC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCNC(=O)[C@@H]2CC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C21H24N4O5S/c1-24(2)14-6-4-13(5-7-14)20(28)25-10-9-22-19(27)16(25)12-17(26)23-15-8-11-31-18(15)21(29)30-3/h4-8,11,16H,9-10,12H2,1-3H3,(H,22,27)(H,23,26)/t16-/m0/s1