diethyl 3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-(tetralin-1-ylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[sulfanylidene-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(tetralin-1-ylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CCCC3=CC=CC=C23

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CCCC3=CC=CC=C23

InChI

InChI=1S/C22H26N2O4S2/c1-4-27-20(25)17-13(3)18(21(26)28-5-2)30-19(17)24-22(29)23-16-12-8-10-14-9-6-7-11-15(14)16/h6-7,9,11,16H,4-5,8,10,12H2,1-3H3,(H2,23,24,29)