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

Systemtic Name: methyl 2-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-[4-oxo-4-(2-thienyl)butanoyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-(1,4-dioxo-4-thiophen-2-ylbutyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-oxo-4-thiophen-2-ylbutanoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-[4-keto-4-(2-thienyl)butanoyl]-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H20N2O4S/c1-27-21(26)13-4-5-16-14(11-13)15-12-23(9-8-17(15)22-16)20(25)7-6-18(24)19-3-2-10-28-19/h2-5,10-11,22H,6-9,12H2,1H3