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methyl 2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

methyl 2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name:methyl 2-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate
Openeye Name:methyl 5-benzyl-2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)thiophene-3-carboxylate
CAS Name:2-[[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester
IUPAC Name:methyl 5-benzyl-2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)thiophene-3-carboxylate
Traditional Name:5-benzyl-2-(3,4-dihydro-2H-quinoline-1-carbothioylamino)thiophene-3-carboxylic acid methyl ester
Formula: C23H22N2O2S2
MolecularWeight: 422.56298
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCCC4=CC=CC=C43


Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCCC4=CC=CC=C43


InChI

InChI=1S/C23H22N2O2S2/c1-27-22(26)19-15-18(14-16-8-3-2-4-9-16)29-21(19)24-23(28)25-13-7-11-17-10-5-6-12-20(17)25/h2-6,8-10,12,15H,7,11,13-14H2,1H3,(H,24,28)


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