diethyl 5-[(3-ethoxycarbonylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(3-ethoxycarbonylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(3-ethoxycarbonylphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3-ethoxycarbonylphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-carbethoxyphenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C21H24N2O6S2/c1-5-27-18(24)13-9-8-10-14(11-13)22-21(30)23-17-15(19(25)28-6-2)12(4)16(31-17)20(26)29-7-3/h8-11H,5-7H2,1-4H3,(H2,22,23,30)