[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate

Systemtic Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantyl)ethanoate Openeye Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid [2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N2O4S/c1-27-16-2-3-17-18(7-16)29-21(23-17)24-19(25)12-28-20(26)11-22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,13-15H,4-6,8-12H2,1H3,(H,23,24,25)