[2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate

Systemtic Name: [2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-bromanyladamantane-1-carboxylate Openeye Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxo-ethyl] 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid [2-keto-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethyl] ester Formula: C27H27BrN2O3S MolecularWeight: 539.48388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)COC(=O)C45CC6CC(C4)CC(C6)(C5)Br

InChI

InChI=1S/C27H27BrN2O3S/c1-16-2-7-21-22(8-16)34-24(30-21)19-3-5-20(6-4-19)29-23(31)14-33-25(32)26-10-17-9-18(11-26)13-27(28,12-17)15-26/h2-8,17-18H,9-15H2,1H3,(H,29,31)