[2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C19H16BrN3O6S2 MolecularWeight: 526.38084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=NC=C(S2)Br)NC(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=NC=C(S2)Br)NC(=O)C3=CC=CS3)OC

InChI

InChI=1S/C19H16BrN3O6S2/c1-27-12-6-10(18(26)29-9-16(24)23-19-21-8-15(20)31-19)11(7-13(12)28-2)22-17(25)14-4-3-5-30-14/h3-8H,9H2,1-2H3,(H,22,25)(H,21,23,24)