diethyl 5-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCCC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C21H24N2O4S2/c1-4-26-19(24)16-13(3)17(20(25)27-5-2)29-18(16)22-21(28)23-12-8-10-14-9-6-7-11-15(14)23/h6-7,9,11H,4-5,8,10,12H2,1-3H3,(H,22,28)