[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-[[4-(3-bromophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C20H17BrN2O5S MolecularWeight: 477.32838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C20H17BrN2O5S/c1-26-16-7-6-13(9-17(16)27-2)19(25)28-10-18(24)23-20-22-15(11-29-20)12-4-3-5-14(21)8-12/h3-9,11H,10H2,1-2H3,(H,22,23,24)