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

Systemtic Name: 2-ethylsulfanylethyl (4S,5S)-4-(2,5-dimethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,5S)-4-(2,5-dimethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(2,5-dimethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,5S)-4-(2,5-dimethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-4-(2,5-dimethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S2/c1-5-26-9-8-24-17(21)15-11(2)19-18(25)20-16(15)13-10-12(22-3)6-7-14(13)23-4/h6-7,10,15-16H,2,5,8-9H2,1,3-4H3,(H2,19,20,25)/t15-,16-/m1/s1