methyl 2-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[2-(3-bromophenyl)-4-thiazolyl]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[2-(3-bromophenyl)thiazol-4-yl]acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H19BrN2O5S MolecularWeight: 491.35496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CC2=CSC(=N2)C3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CC2=CSC(=N2)C3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C21H19BrN2O5S/c1-27-17-9-15(21(26)29-3)16(10-18(17)28-2)24-19(25)8-14-11-30-20(23-14)12-5-4-6-13(22)7-12/h4-7,9-11H,8H2,1-3H3,(H,24,25)