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

Systemtic Name: ethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-4-methyl-2-(methylsulfanylcarbothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-2-(methylsulfanylcarbothioylamino)thiophene-3-carboxylate CAS Name: 5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-4-methyl-2-[[(methylthio)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-2-(methylsulfanylcarbothioylamino)thiophene-3-carboxylate Traditional Name: 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-methyl-2-[(methylthio)carbothioylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O3S3 MolecularWeight: 434.59528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S3/c1-4-25-19(24)15-12(2)16(28-17(15)21-20(26)27-3)18(23)22-10-9-13-7-5-6-8-14(13)11-22/h5-8H,4,9-11H2,1-3H3,(H,21,26)