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

Systemtic Name: ethyl 4-(4-ethylphenyl)-2-[(3-nitrophenyl)sulfonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-ethylphenyl)-2-[(3-nitrophenyl)sulfonylamino]thiophene-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2-[(3-nitrophenyl)sulfonylamino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylphenyl)-2-[(3-nitrophenyl)sulfonylamino]thiophene-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-2-[(3-nitrophenyl)sulfonylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O6S2 MolecularWeight: 460.5233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6S2/c1-3-14-8-10-15(11-9-14)18-13-30-20(19(18)21(24)29-4-2)22-31(27,28)17-7-5-6-16(12-17)23(25)26/h5-13,22H,3-4H2,1-2H3