methyl 2-ethyl-4-methyl-5-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-ethyl-4-methyl-5-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[4-[(E)-3-(2-thienyl)prop-2-enoyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[oxo-[4-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[4-[(E)-3-(2-thienyl)acryloyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)C(=O)C=CC3=CC=CS3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CS3)C)C(=O)OC

InChI

InChI=1S/C21H25N3O4S/c1-4-16-18(21(27)28-3)14(2)19(22-16)20(26)24-11-9-23(10-12-24)17(25)8-7-15-6-5-13-29-15/h5-8,13,22H,4,9-12H2,1-3H3/b8-7+