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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCC3=CC=CC=C3C2

InChI

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