[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H15BrN2O3S MolecularWeight: 419.2923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C18H15BrN2O3S/c1-11(12-2-5-14(19)6-3-12)21-17(22)9-24-18(23)13-4-7-15-16(8-13)25-10-20-15/h2-8,10-11H,9H2,1H3,(H,21,22)