[2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C18H21BrN2O6S MolecularWeight: 473.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=NC=C(S2)Br

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=NC=C(S2)Br

InChI

InChI=1S/C18H21BrN2O6S/c1-4-24-12-7-11(8-13(25-5-2)16(12)26-6-3)17(23)27-10-15(22)21-18-20-9-14(19)28-18/h7-9H,4-6,10H2,1-3H3,(H,20,21,22)