ethyl (4R,5S,6Z)-4-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4R,5S,6Z)-4-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4R,5S,6Z)-4-(3-chloro-5-ethoxy-4-propoxy-phenyl)-6-propylidene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S,6Z)-4-(3-chloro-5-ethoxy-4-propoxyphenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S,6Z)-4-(3-chloro-5-ethoxy-4-propoxyphenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S,6Z)-4-(3-chloro-5-ethoxy-4-propoxy-phenyl)-6-propylidene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H29ClN2O4S MolecularWeight: 440.98396

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C2C(C(=CCC)NC(=S)N2)C(=O)OCC)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)[C@H]2[C@@H](/C(=C/CC)/NC(=S)N2)C(=O)OCC)OCC

InChI

InChI=1S/C21H29ClN2O4S/c1-5-9-15-17(20(25)27-8-4)18(24-21(29)23-15)13-11-14(22)19(28-10-6-2)16(12-13)26-7-3/h9,11-12,17-18H,5-8,10H2,1-4H3,(H2,23,24,29)/b15-9-/t17-,18+/m1/s1