ethyl 4-(4-bromophenyl)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H18BrNO5S MolecularWeight: 488.35102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H18BrNO5S/c1-2-27-22(26)19-15(13-7-9-14(23)10-8-13)12-30-21(19)24-20(25)18-11-28-16-5-3-4-6-17(16)29-18/h3-10,12,18H,2,11H2,1H3,(H,24,25)/t18-/m1/s1