[3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 3-ethylbenzoate

Systemtic Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 3-ethylbenzoate Openeye Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 3-ethylbenzoate CAS Name: 3-ethylbenzoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 3-ethylbenzoate Traditional Name: 3-ethylbenzoic acid [3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CC4)C

Isomeric SMILES

CCC1=CC=CC(=C1)C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CC4)C

InChI

InChI=1S/C19H22N4O3S/c1-3-12-5-4-6-14(11-12)17(24)26-15-9-10-22(2)19(25)23(15)18-21-20-16(27-18)13-7-8-13/h4-6,11,13,15H,3,7-10H2,1-2H3