ethyl 2-[[6-(1-adamantylcarbonylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[6-(1-adamantylcarbonylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[6-(adamantane-1-carbonylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[1-adamantyl(oxo)methyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(adamantane-1-carbonylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-(adamantane-1-carbonylamino)-1,3-benzothiazol-2-yl]thio]acetic acid ethyl ester Formula: C22H26N2O3S2 MolecularWeight: 430.58344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N2O3S2/c1-2-27-19(25)12-28-21-24-17-4-3-16(8-18(17)29-21)23-20(26)22-9-13-5-14(10-22)7-15(6-13)11-22/h3-4,8,13-15H,2,5-7,9-12H2,1H3,(H,23,26)