ethyl 2-butyl-1-thiophen-2-ylcarbonyl-pyrrolo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-butyl-1-thiophen-2-ylcarbonyl-pyrrolo[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 2-butyl-1-(thiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-3-carboxylate CAS Name: 2-butyl-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolo[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-1-(thiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 2-butyl-1-(2-thenoyl)pyrrol[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C=CC3=CC=CC=C3C2=C1C(=O)C4=CC=CS4)C(=O)OCC

Isomeric SMILES

CCCCC1=C(N2C=CC3=CC=CC=C3C2=C1C(=O)C4=CC=CS4)C(=O)OCC

InChI

InChI=1S/C24H23NO3S/c1-3-5-10-18-20(23(26)19-12-8-15-29-19)21-17-11-7-6-9-16(17)13-14-25(21)22(18)24(27)28-4-2/h6-9,11-15H,3-5,10H2,1-2H3