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

Systemtic Name: 2-methylsulfanylethyl (4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methylsulfanylethyl (4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (4R,5S)-4-(3,4-dimethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(3,4-dimethoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCCSC)OC

InChI

InChI=1S/C17H22N2O5S/c1-10-14(16(20)24-7-8-25-4)15(19-17(21)18-10)11-5-6-12(22-2)13(9-11)23-3/h5-6,9,14-15H,1,7-8H2,2-4H3,(H2,18,19,21)/t14-,15+/m1/s1