methyl 4-[[5-ethyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[5-ethyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-ethyl-3-[(3-nitrophenyl)methylcarbamoyl]-2-thienyl]carbamoyl]benzoate CAS Name: 4-[[[5-ethyl-3-[[(3-nitrophenyl)methylamino]-oxomethyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-ethyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoate Traditional Name: 4-[[5-ethyl-3-[(3-nitrobenzyl)carbamoyl]-2-thienyl]carbamoyl]benzoic acid methyl ester Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O6S/c1-3-18-12-19(21(28)24-13-14-5-4-6-17(11-14)26(30)31)22(33-18)25-20(27)15-7-9-16(10-8-15)23(29)32-2/h4-12H,3,13H2,1-2H3,(H,24,28)(H,25,27)