ethyl 2-[2-[dicyclopropylmethyl(2-phenylethanoyl)amino]ethyl]-1,3-dithiane-2-carboxylate

Systemtic Name: ethyl 2-[2-[dicyclopropylmethyl(2-phenylethanoyl)amino]ethyl]-1,3-dithiane-2-carboxylate Openeye Name: ethyl 2-[2-[dicyclopropylmethyl-(2-phenylacetyl)amino]ethyl]-1,3-dithiane-2-carboxylate CAS Name: 2-[2-[dicyclopropylmethyl-(1-oxo-2-phenylethyl)amino]ethyl]-1,3-dithiane-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[dicyclopropylmethyl-(2-phenylacetyl)amino]ethyl]-1,3-dithiane-2-carboxylate Traditional Name: 2-[2-[dicyclopropylmethyl-(2-phenylacetyl)amino]ethyl]-1,3-dithiane-2-carboxylic acid ethyl ester Formula: C24H33NO3S2 MolecularWeight: 447.65372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(SCCCS1)CCN(C(C2CC2)C3CC3)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(SCCCS1)CCN(C(C2CC2)C3CC3)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H33NO3S2/c1-2-28-23(27)24(29-15-6-16-30-24)13-14-25(22(19-9-10-19)20-11-12-20)21(26)17-18-7-4-3-5-8-18/h3-5,7-8,19-20,22H,2,6,9-17H2,1H3