(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(2-thienylmethyl)piperazin-1-yl]propan-1-one CAS Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: (2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(2-thenyl)piperazino]propan-1-one Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)N2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)N2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C20H27N3O2S/c1-13-18(16(4)24)14(2)21-19(13)20(25)15(3)23-9-7-22(8-10-23)12-17-6-5-11-26-17/h5-6,11,15,21H,7-10,12H2,1-4H3/t15-/m0/s1