1-adamantyl 2-(2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)propanoate

Systemtic Name: 1-adamantyl 2-(2-oxidanylidene-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)propanoate Openeye Name: 1-adamantyl 2-(2-oxo-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)propanoate CAS Name: 2-(2-oxo-4-phenyl-8-pyrimido[2,1-b][1,3]benzothiazolyl)propanoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)propanoate Traditional Name: 2-(2-keto-4-phenyl-pyrimido[2,1-b][1,3]benzothiazol-8-yl)propionic acid 1-adamantyl ester Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N3C(=CC(=O)N=C3S2)C4=CC=CC=C4)C(=O)OC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC(C1=CC2=C(C=C1)N3C(=CC(=O)N=C3S2)C4=CC=CC=C4)C(=O)OC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C29H28N2O3S/c1-17(27(33)34-29-14-18-9-19(15-29)11-20(10-18)16-29)22-7-8-23-25(12-22)35-28-30-26(32)13-24(31(23)28)21-5-3-2-4-6-21/h2-8,12-13,17-20H,9-11,14-16H2,1H3