2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]-6-nitro-benzoate

Systemtic Name: 2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]-6-nitro-benzoate Openeye Name: 2-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)carbamoyl]-6-nitro-benzoate CAS Name: 2-[[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-6-nitrobenzoate IUPAC Name: 2-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)carbamoyl]-6-nitrobenzoate Traditional Name: 2-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)carbamoyl]-6-nitro-benzoate Formula: C22H17N2O7S- MolecularWeight: 453.44458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H18N2O7S/c1-3-31-22(28)18-16(13-8-5-4-6-9-13)12(2)32-20(18)23-19(25)14-10-7-11-15(24(29)30)17(14)21(26)27/h4-11H,3H2,1-2H3,(H,23,25)(H,26,27)/p-1