(3R)-N-[2-(1-adamantylsulfanyl)ethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[2-(1-adamantylsulfanyl)ethanoyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[2-(1-adamantylsulfanyl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[2-(1-adamantylthio)-1-oxoethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[2-(1-adamantylsulfanyl)acetyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[2-(1-adamantylthio)acetyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC(=O)NC(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C(=O)NC(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25NO4S/c23-19(12-27-21-8-13-5-14(9-21)7-15(6-13)10-21)22-20(24)18-11-25-16-3-1-2-4-17(16)26-18/h1-4,13-15,18H,5-12H2,(H,22,23,24)/t13?,14?,15?,18-,21?/m1/s1