[3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-1-prop-2-ynyl-1,3-diazinan-4-yl] benzoate

Systemtic Name: [3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-1-prop-2-ynyl-1,3-diazinan-4-yl] benzoate Openeye Name: [3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-prop-2-ynyl-hexahydropyrimidin-4-yl] benzoate CAS Name: benzoic acid [3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-prop-2-ynyl-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-prop-2-ynyl-1,3-diazinan-4-yl] benzoate Traditional Name: benzoic acid [2-keto-3-(5-methylsulfinyl-1,3,4-thiadiazol-2-yl)-1-propargyl-hexahydropyrimidin-4-yl] ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=NN=C(S1)N2C(CCN(C2=O)CC#C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)C1=NN=C(S1)N2C(CCN(C2=O)CC#C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O4S2/c1-3-10-20-11-9-13(25-14(22)12-7-5-4-6-8-12)21(17(20)23)15-18-19-16(26-15)27(2)24/h1,4-8,13H,9-11H2,2H3