O2-methyl O4-propyl 5-[(4-bromanylthiophen-2-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-methyl O4-propyl 5-[(4-bromanylthiophen-2-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 5-[(4-bromothiophene-2-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-bromo-2-thiophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester IUPAC Name: 2-O-methyl 4-O-propyl 5-[(4-bromothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-bromothiophene-2-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-methyl ester O4-propyl ester Formula: C16H16BrNO5S2 MolecularWeight: 446.33594

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CC(=CS2)Br

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=CC(=CS2)Br

InChI

InChI=1S/C16H16BrNO5S2/c1-4-5-23-15(20)11-8(2)12(16(21)22-3)25-14(11)18-13(19)10-6-9(17)7-24-10/h6-7H,4-5H2,1-3H3,(H,18,19)