4-[[5-ethyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid

Systemtic Name: 4-[[5-ethyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[5-ethyl-3-[(3-nitrophenyl)methylcarbamoyl]-2-thienyl]carbamoyl]benzoic acid CAS Name: 4-[[[5-ethyl-3-[[(3-nitrophenyl)methylamino]-oxomethyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[5-ethyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[5-ethyl-3-[(3-nitrobenzyl)carbamoyl]-2-thienyl]carbamoyl]benzoic acid Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)O)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O6S/c1-2-17-11-18(20(27)23-12-13-4-3-5-16(10-13)25(30)31)21(32-17)24-19(26)14-6-8-15(9-7-14)22(28)29/h3-11H,2,12H2,1H3,(H,23,27)(H,24,26)(H,28,29)