[1-but-3-enyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-1,3-diazinan-4-yl] 4-chloranylbenzoate

Systemtic Name: [1-but-3-enyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-1,3-diazinan-4-yl] 4-chloranylbenzoate Openeye Name: [1-but-3-enyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-oxo-hexahydropyrimidin-4-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1-but-3-enyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [1-but-3-enyl-3-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-oxo-1,3-diazinan-4-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-but-3-enyl-2-keto-3-(5-methoxy-1,3,4-thiadiazol-2-yl)hexahydropyrimidin-4-yl] ester Formula: C18H19ClN4O4S MolecularWeight: 422.88586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(S1)N2C(CCN(C2=O)CCC=C)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=NN=C(S1)N2C(CCN(C2=O)CCC=C)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN4O4S/c1-3-4-10-22-11-9-14(27-15(24)12-5-7-13(19)8-6-12)23(18(22)25)16-20-21-17(26-2)28-16/h3,5-8,14H,1,4,9-11H2,2H3