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

Systemtic Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2COC3=CC=CC=C3O2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2COC3=CC=CC=C3O2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O7S/c1-2-29-22(26)19-15(18-11-30-16-5-3-4-6-17(16)31-18)12-32-21(19)23-20(25)13-7-9-14(10-8-13)24(27)28/h3-10,12,18H,2,11H2,1H3,(H,23,25)