diethyl 5-(2,3-dihydroindol-1-ylcarbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-(2,3-dihydroindol-1-ylcarbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(indoline-1-carbothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2,3-dihydroindol-1-yl(sulfanylidene)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(2,3-dihydroindole-1-carbothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(indoline-1-carbothioylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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=C32

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCC3=CC=CC=C32

InChI

InChI=1S/C20H22N2O4S2/c1-4-25-18(23)15-12(3)16(19(24)26-5-2)28-17(15)21-20(27)22-11-10-13-8-6-7-9-14(13)22/h6-9H,4-5,10-11H2,1-3H3,(H,21,27)