ethyl 4-[[2-(1-adamantylcarbonylamino)-1,3-benzothiazol-6-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-(1-adamantylcarbonylamino)-1,3-benzothiazol-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(adamantane-1-carbonylamino)-1,3-benzothiazole-6-carbonyl]amino]benzoate CAS Name: 4-[[[2-[[1-adamantyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(adamantane-1-carbonylamino)-1,3-benzothiazole-6-carbonyl]amino]benzoate Traditional Name: 4-[[2-(adamantane-1-carbonylamino)-1,3-benzothiazole-6-carbonyl]amino]benzoic acid ethyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H29N3O4S/c1-2-35-25(33)19-3-6-21(7-4-19)29-24(32)20-5-8-22-23(12-20)36-27(30-22)31-26(34)28-13-16-9-17(14-28)11-18(10-16)15-28/h3-8,12,16-18H,2,9-11,13-15H2,1H3,(H,29,32)(H,30,31,34)