methyl 2-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=S)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1C(=S)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C21H24N2O2S2/c1-13-11-12-14-7-3-5-9-16(14)23(13)21(26)22-19-18(20(24)25-2)15-8-4-6-10-17(15)27-19/h3,5,7,9,13H,4,6,8,10-12H2,1-2H3,(H,22,26)/t13-/m0/s1