O4-ethyl O2-methyl 5-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 5-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 5-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 5-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(5-bromo-1-naphthoyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C22H19BrN2O5S2 MolecularWeight: 535.43066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

InChI

InChI=1S/C22H19BrN2O5S2/c1-4-30-20(27)16-11(2)17(21(28)29-3)32-19(16)25-22(31)24-18(26)14-9-5-8-13-12(14)7-6-10-15(13)23/h5-10H,4H2,1-3H3,(H2,24,25,26,31)