methyl 2-(2-quinolin-2-ylsulfanylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(2-quinolin-2-ylsulfanylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(2-quinolylsulfanyl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-quinolinylthio)butyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-quinolin-2-ylsulfanylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-quinolylthio)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H24N2O3S2/c1-3-17(29-19-13-12-14-8-4-6-10-16(14)24-19)21(26)25-22-20(23(27)28-2)15-9-5-7-11-18(15)30-22/h4,6,8,10,12-13,17H,3,5,7,9,11H2,1-2H3,(H,25,26)