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

Systemtic Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-oxidanylidene-1-prop-2-ynyl-1,3-diazinan-4-yl] benzoate Openeye Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-prop-2-ynyl-hexahydropyrimidin-4-yl] benzoate CAS Name: benzoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-prop-2-ynyl-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-oxo-1-prop-2-ynyl-1,3-diazinan-4-yl] benzoate Traditional Name: benzoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-keto-1-propargyl-hexahydropyrimidin-4-yl] ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCC(N(C1=O)C2=NN=C(S2)C3CC3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C#CCN1CCC(N(C1=O)C2=NN=C(S2)C3CC3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H18N4O3S/c1-2-11-22-12-10-15(26-17(24)14-6-4-3-5-7-14)23(19(22)25)18-21-20-16(27-18)13-8-9-13/h1,3-7,13,15H,8-12H2