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

Systemtic Name: methyl 2-(2-methylsulfanylethanoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(2-methylsulfanylacetyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[2-(methylthio)-1-oxoethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylsulfanylacetyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-[2-(methylthio)acetyl]-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CSC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)CSC

InChI

InChI=1S/C16H18N2O3S/c1-21-16(20)10-3-4-13-11(7-10)12-8-18(15(19)9-22-2)6-5-14(12)17-13/h3-4,7,17H,5-6,8-9H2,1-2H3