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

Systemtic Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] 2-ethoxybenzoate Openeye Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] ester IUPAC Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-1,3-diazinan-4-yl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCC4)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCC4)C

InChI

InChI=1S/C21H26N4O4S/c1-3-28-16-11-7-6-10-15(16)19(26)29-17-12-13-24(2)21(27)25(17)20-23-22-18(30-20)14-8-4-5-9-14/h6-7,10-11,14,17H,3-5,8-9,12-13H2,1-2H3