diethyl 5-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-bromo-4,6-difluoro-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-bromo-4,6-difluoroanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-bromo-4,6-difluorophenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-bromo-4,6-difluoro-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H17BrF2N2O4S2 MolecularWeight: 507.369386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(C=C(C=C2Br)F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=C(C=C(C=C2Br)F)F

InChI

InChI=1S/C18H17BrF2N2O4S2/c1-4-26-16(24)12-8(3)14(17(25)27-5-2)29-15(12)23-18(28)22-13-10(19)6-9(20)7-11(13)21/h6-7H,4-5H2,1-3H3,(H2,22,23,28)