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

Systemtic Name: dimethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCC3=CC=CC=C3C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCC3=CC=CC=C3C2)C(=O)OC

InChI

InChI=1S/C19H20N2O4S2/c1-11-14(17(22)24-2)16(27-15(11)18(23)25-3)20-19(26)21-9-8-12-6-4-5-7-13(12)10-21/h4-7H,8-10H2,1-3H3,(H,20,26)