methyl 4-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H18BrNO5S MolecularWeight: 488.35102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2COC3=CC=CC=C3O2)C(=O)OC)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2COC3=CC=CC=C3O2)C(=O)OC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrNO5S/c1-12-18(13-7-9-14(23)10-8-13)19(22(26)27-2)21(30-12)24-20(25)17-11-28-15-5-3-4-6-16(15)29-17/h3-10,17H,11H2,1-2H3,(H,24,25)