ethyl 5-(1-benzothiophen-2-ylmethyl)-4-ethanoyl-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-(1-benzothiophen-2-ylmethyl)-4-ethanoyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-acetyl-5-(benzothiophen-2-ylmethyl)-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-5-(1-benzothiophen-2-ylmethyl)-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-(1-benzothiophen-2-ylmethyl)-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-5-(benzothiophen-2-ylmethyl)-3-methyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)CC2=CC3=CC=CC=C3S2)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)CC2=CC3=CC=CC=C3S2)C(=O)C)C

InChI

InChI=1S/C19H19NO3S/c1-4-23-19(22)18-11(2)17(12(3)21)15(20-18)10-14-9-13-7-5-6-8-16(13)24-14/h5-9,20H,4,10H2,1-3H3