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

Systemtic Name: diethyl 5-[[4-(2-diethylaminoethyloxycarbonyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-(2-diethylaminoethyloxycarbonyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-[2-diethylaminoethyloxy(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-(2-diethylaminoethyloxycarbonyl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(2-diethylaminoethyloxycarbonyl)phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H33N3O6S2 MolecularWeight: 535.67602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O6S2/c1-6-28(7-2)14-15-34-22(29)17-10-12-18(13-11-17)26-25(35)27-21-19(23(30)32-8-3)16(5)20(36-21)24(31)33-9-4/h10-13H,6-9,14-15H2,1-5H3,(H2,26,27,35)