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

Systemtic Name: 2-methoxyethyl (4S,5R)-4-(4-butoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (4S,5R)-4-(4-butoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(4-butoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S,5R)-4-(4-butoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-butoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4S/c1-4-5-10-24-15-8-6-14(7-9-15)17-16(13(2)20-19(26)21-17)18(22)25-12-11-23-3/h6-9,16-17H,2,4-5,10-12H2,1,3H3,(H2,20,21,26)/t16-,17+/m0/s1