dimethyl 5-[(2-ethoxyphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[(2-ethoxyphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(2-ethoxyphenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-ethoxyphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(o-phenetylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C18H20N2O5S2/c1-5-25-12-9-7-6-8-11(12)19-18(26)20-15-13(16(21)23-3)10(2)14(27-15)17(22)24-4/h6-9H,5H2,1-4H3,(H2,19,20,26)