methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C19H22N2O2S2/c1-4-15-12(2)25-17(16(15)18(22)23-3)20-19(24)21-10-9-13-7-5-6-8-14(13)11-21/h5-8H,4,9-11H2,1-3H3,(H,20,24)