methyl 4-(4-ethoxyphenyl)-5-methyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-5-methyl-2-[(2-nitrophenyl)sulfonylamino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethoxyphenyl)-5-methyl-2-[(2-nitrophenyl)sulfonylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(2-nitrophenyl)sulfonylamino]-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C21H20N2O7S2 MolecularWeight: 476.5227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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