2-ethylsulfanylethyl (4S,5R)-4-(2,3-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,5R)-4-(2,3-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,5R)-4-(2,3-dimethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2,3-dimethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,5R)-4-(2,3-dimethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2,3-dimethoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(NC(=O)NC1=C)C2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CCSCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C18H24N2O5S/c1-5-26-10-9-25-17(21)14-11(2)19-18(22)20-15(14)12-7-6-8-13(23-3)16(12)24-4/h6-8,14-15H,2,5,9-10H2,1,3-4H3,(H2,19,20,22)/t14-,15+/m0/s1