[1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H19N3O8S MolecularWeight: 437.42376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=C(C=CS2)C(=O)N)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=C(C=CS2)C(=O)N)OC

InChI

InChI=1S/C18H19N3O8S/c1-4-28-14-8-12(21(25)26)11(7-13(14)27-3)18(24)29-9(2)16(23)20-17-10(15(19)22)5-6-30-17/h5-9H,4H2,1-3H3,(H2,19,22)(H,20,23)