ethyl (4S,5R)-4-(2-cyclopentyloxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5R)-4-(2-cyclopentyloxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-[2-(cyclopentoxy)phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2-cyclopentyloxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(2-cyclopentyloxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-[2-(cyclopentoxy)phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2OC3CCCC3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC=CC=C2OC3CCCC3

InChI

InChI=1S/C19H24N2O3S/c1-3-23-18(22)16-12(2)20-19(25)21-17(16)14-10-6-7-11-15(14)24-13-8-4-5-9-13/h6-7,10-11,13,16-17H,2-5,8-9H2,1H3,(H2,20,21,25)/t16-,17+/m0/s1