methyl (4S,5R)-4-(4-butoxy-3-methoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4S,5R)-4-(4-butoxy-3-methoxy-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4S,5R)-4-(4-butoxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(4-butoxy-3-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-4-(4-butoxy-3-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-butoxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OC)OC

InChI

InChI=1S/C18H24N2O4S/c1-5-6-9-24-13-8-7-12(10-14(13)22-3)16-15(17(21)23-4)11(2)19-18(25)20-16/h7-8,10,15-16H,2,5-6,9H2,1,3-4H3,(H2,19,20,25)/t15-,16+/m0/s1