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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2COC3=CC=CC=C3O2)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1[C@H]2COC3=CC=CC=C3O2)NC(=O)C4=CC=C(C=C4)Br

InChI

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