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

Systemtic Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxidanylidene-1,3-diazinan-4-yl] (2-ethoxyphenyl)sulfanylmethanoate Openeye Name: [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1-methyl-2-oxo-hexahydropyrimidin-4-yl] (2-ethoxyphenyl)sulfanylformate CAS Name: [(2-ethoxyphenyl)thio]formic 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-ethoxyphenyl)sulfanylformate Traditional Name: (o-phenetylthio)formic acid [3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2-keto-1-methyl-hexahydropyrimidin-4-yl] ester Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1SC(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCC4)C

Isomeric SMILES

CCOC1=CC=CC=C1SC(=O)OC2CCN(C(=O)N2C3=NN=C(S3)C4CCCC4)C

InChI

InChI=1S/C21H26N4O4S2/c1-3-28-15-10-6-7-11-16(15)30-21(27)29-17-12-13-24(2)20(26)25(17)19-23-22-18(31-19)14-8-4-5-9-14/h6-7,10-11,14,17H,3-5,8-9,12-13H2,1-2H3