ethyl 4-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate Traditional Name: 2-[(2-nitrophenyl)sulfonylamino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O7S2 MolecularWeight: 476.5227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7S2/c1-3-29-15-11-9-14(10-12-15)16-13-31-20(19(16)21(24)30-4-2)22-32(27,28)18-8-6-5-7-17(18)23(25)26/h5-13,22H,3-4H2,1-2H3