ethyl 2,5-dimethyl-1-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]-2-oxo-ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C)C

InChI

InChI=1S/C20H27N3O5S2/c1-5-28-20(25)17-12-14(2)23(16(17)4)13-18(24)21-8-10-22(11-9-21)30(26,27)19-7-6-15(3)29-19/h6-7,12H,5,8-11,13H2,1-4H3