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

Systemtic Name: 2-ethylsulfanylethyl (4S,5R)-4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,5R)-4-(2-ethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2-ethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,5R)-4-(2-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-4-methylene-6-o-phenetyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(C(=C)NC(=S)N2)C(=O)OCCSCC

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OCCSCC

InChI

InChI=1S/C18H24N2O3S2/c1-4-22-14-9-7-6-8-13(14)16-15(12(3)19-18(24)20-16)17(21)23-10-11-25-5-2/h6-9,15-16H,3-5,10-11H2,1-2H3,(H2,19,20,24)/t15-,16+/m0/s1