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

Systemtic Name: methyl 4-[[5-chloranyl-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoate Openeye Name: methyl 4-[[5-chloro-3-[(3-nitrophenyl)methylcarbamoyl]-2-thienyl]carbamoyl]benzoate CAS Name: 4-[[[5-chloro-3-[[(3-nitrophenyl)methylamino]-oxomethyl]-2-thiophenyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-chloro-3-[(3-nitrophenyl)methylcarbamoyl]thiophen-2-yl]carbamoyl]benzoate Traditional Name: 4-[[5-chloro-3-[(3-nitrobenzyl)carbamoyl]-2-thienyl]carbamoyl]benzoic acid methyl ester Formula: C21H16ClN3O6S MolecularWeight: 473.88624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=C(S2)Cl)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O6S/c1-31-21(28)14-7-5-13(6-8-14)18(26)24-20-16(10-17(22)32-20)19(27)23-11-12-3-2-4-15(9-12)25(29)30/h2-10H,11H2,1H3,(H,23,27)(H,24,26)