N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-5-ethoxy-4-methoxy-2-nitro-benzamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H27N3O5S/c1-3-31-19-7-16(17(26(28)29)8-18(19)30-2)21(27)25-22-24-20(12-32-22)23-9-13-4-14(10-23)6-15(5-13)11-23/h7-8,12-15H,3-6,9-11H2,1-2H3,(H,24,25,27)