N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-oxidanylidene-8-prop-2-enyl-chromene-3-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-oxidanylidene-8-prop-2-enyl-chromene-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-8-allyl-2-oxo-chromene-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-2-oxo-8-prop-2-enyl-1-benzopyran-3-carboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-oxo-8-prop-2-enylchromene-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-8-allyl-2-keto-chromene-3-carboxamide Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H26N2O3S/c1-2-4-18-5-3-6-19-10-20(24(30)31-22(18)19)23(29)28-25-27-21(14-32-25)26-11-15-7-16(12-26)9-17(8-15)13-26/h2-3,5-6,10,14-17H,1,4,7-9,11-13H2,(H,27,28,29)