2-[4-(1-adamantyl)-2-azanyl-1,3-benzothiazol-6-yl]ethanoic acid

Systemtic Name: 2-[4-(1-adamantyl)-2-azanyl-1,3-benzothiazol-6-yl]ethanoic acid Openeye Name: 2-[4-(1-adamantyl)-2-amino-1,3-benzothiazol-6-yl]acetic acid CAS Name: 2-[4-(1-adamantyl)-2-amino-1,3-benzothiazol-6-yl]acetic acid IUPAC Name: 2-[4-(1-adamantyl)-2-amino-1,3-benzothiazol-6-yl]acetic acid Traditional Name: 2-[4-(1-adamantyl)-2-amino-1,3-benzothiazol-6-yl]acetic acid Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=CC5=C4N=C(S5)N)CC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=CC5=C4N=C(S5)N)CC(=O)O

InChI

InChI=1S/C19H22N2O2S/c20-18-21-17-14(4-10(6-16(22)23)5-15(17)24-18)19-7-11-1-12(8-19)3-13(2-11)9-19/h4-5,11-13H,1-3,6-9H2,(H2,20,21)(H,22,23)