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

Systemtic Name: 2-methoxyethyl (4S,5R)-4-(4-hexoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (4S,5R)-4-(4-hexoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(4-hexoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S,5R)-4-(4-hexoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-hexoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OCCOC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OCCOC

InChI

InChI=1S/C21H30N2O4S/c1-4-5-6-7-12-26-17-10-8-16(9-11-17)19-18(15(2)22-21(28)23-19)20(24)27-14-13-25-3/h8-11,18-19H,2,4-7,12-14H2,1,3H3,(H2,22,23,28)/t18-,19+/m0/s1