methyl 5-[(4-bromanylthiophen-2-yl)-(4-methoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)methyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-[(4-bromanylthiophen-2-yl)-(4-methoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)methyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate Openeye Name: methyl 5-[(4-bromo-2-thienyl)-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylate CAS Name: 5-[(4-bromo-2-thiophenyl)-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thiophenyl)methyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-bromothiophen-2-yl)-(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)methyl]-4-hydroxy-2-methylthiophene-3-carboxylate Traditional Name: 5-[(4-bromo-2-thienyl)-(4-carbomethoxy-3-hydroxy-5-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H17BrO6S3 MolecularWeight: 517.43368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)C(C2=CC(=CS2)Br)C3=C(C(=C(S3)C)C(=O)OC)O)O)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(S1)C(C2=CC(=CS2)Br)C3=C(C(=C(S3)C)C(=O)OC)O)O)C(=O)OC

InChI

InChI=1S/C19H17BrO6S3/c1-7-11(18(23)25-3)14(21)16(28-7)13(10-5-9(20)6-27-10)17-15(22)12(8(2)29-17)19(24)26-4/h5-6,13,21-22H,1-4H3