(3-ethoxy-3a,4,5,6,7,8-hexahydroazulen-1-yl) N-phenylethanimidothioate

Systemtic Name: (3-ethoxy-3a,4,5,6,7,8-hexahydroazulen-1-yl) N-phenylethanimidothioate Openeye Name: (3-ethoxy-3a,4,5,6,7,8-hexahydroazulen-1-yl) N-phenylethanimidothioate CAS Name: N-phenylethanimidothioic acid (3-ethoxy-3a,4,5,6,7,8-hexahydroazulen-1-yl) ester IUPAC Name: (3-ethoxy-3a,4,5,6,7,8-hexahydroazulen-1-yl) N-phenylethanimidothioate Traditional Name: N-phenylthioacetimidic acid (3-ethoxy-3a,4,5,6,7,8-hexahydroazulen-1-yl) ester Formula: C20H25NOS MolecularWeight: 327.4836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C2C1CCCCC2)SC(=NC3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC(=C2C1CCCCC2)SC(=NC3=CC=CC=C3)C

InChI

InChI=1S/C20H25NOS/c1-3-22-19-14-20(18-13-9-5-8-12-17(18)19)23-15(2)21-16-10-6-4-7-11-16/h4,6-7,10-11,14,17H,3,5,8-9,12-13H2,1-2H3