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

Systemtic Name: methyl 2-ethyl-4-methyl-5-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[4-[(2-phenylthiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[oxo-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[4-[(2-phenylthiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4)C)C(=O)OC

InChI

InChI=1S/C24H28N4O3S/c1-4-19-20(24(30)31-3)16(2)21(26-19)23(29)28-12-10-27(11-13-28)14-18-15-32-22(25-18)17-8-6-5-7-9-17/h5-9,15,26H,4,10-14H2,1-3H3