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

Systemtic Name: [2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic 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] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[[4-(3-bromophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C20H17BrN2O3S MolecularWeight: 445.32958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H17BrN2O3S/c1-2-13-6-8-14(9-7-13)19(25)26-11-18(24)23-20-22-17(12-27-20)15-4-3-5-16(21)10-15/h3-10,12H,2,11H2,1H3,(H,22,23,24)