[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H16ClN3O8S MolecularWeight: 505.88504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C(=O)N)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O8S/c1-31-17-8-11(2-4-16(17)33-15-5-3-12(22)9-14(15)25(29)30)21(28)32-10-18(26)24-20-13(19(23)27)6-7-34-20/h2-9H,10H2,1H3,(H2,23,27)(H,24,26)