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

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

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

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