methyl 2-ethyl-4-methyl-5-[4-(2-phenylsulfanylethyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[4-(2-phenylsulfanylethyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[oxo-[4-[2-(phenylthio)ethyl]-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[4-[2-(phenylthio)ethyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CCSC3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CCSC3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C22H29N3O3S/c1-4-18-19(22(27)28-3)16(2)20(23-18)21(26)25-12-10-24(11-13-25)14-15-29-17-8-6-5-7-9-17/h5-9,23H,4,10-15H2,1-3H3