methyl 2-(4-thiophen-2-ylbutanoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Systemtic Name: methyl 2-(4-thiophen-2-ylbutanoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-[4-(2-thienyl)butanoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-(1-oxo-4-thiophen-2-ylbutyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-thiophen-2-ylbutanoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-[4-(2-thienyl)butanoyl]-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CCCC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CCCC4=CC=CS4

InChI

InChI=1S/C21H22N2O3S/c1-26-21(25)14-7-8-18-16(12-14)17-13-23(10-9-19(17)22-18)20(24)6-2-4-15-5-3-11-27-15/h3,5,7-8,11-12,22H,2,4,6,9-10,13H2,1H3