methyl 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C24H26N2O3S2/c1-14-7-6-9-16-15(2)13-20(26-22(14)16)30-12-11-19(27)25-23-21(24(28)29-3)17-8-4-5-10-18(17)31-23/h6-7,9,13H,4-5,8,10-12H2,1-3H3,(H,25,27)