[2-(oxan-2-yl)phenyl] 2-(2-sulfanylidene-1,3-diazinan-5-yl)ethanoate

Systemtic Name: [2-(oxan-2-yl)phenyl] 2-(2-sulfanylidene-1,3-diazinan-5-yl)ethanoate Openeye Name: (2-tetrahydropyran-2-ylphenyl) 2-(2-thioxohexahydropyrimidin-5-yl)acetate CAS Name: 2-(2-sulfanylidene-1,3-diazinan-5-yl)acetic acid [2-(2-oxanyl)phenyl] ester IUPAC Name: [2-(oxan-2-yl)phenyl] 2-(2-sulfanylidene-1,3-diazinan-5-yl)acetate Traditional Name: 2-(2-thioxohexahydropyrimidin-5-yl)acetic acid (2-tetrahydropyran-2-ylphenyl) ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)C2=CC=CC=C2OC(=O)CC3CNC(=S)NC3

Isomeric SMILES

C1CCOC(C1)C2=CC=CC=C2OC(=O)CC3CNC(=S)NC3

InChI

InChI=1S/C17H22N2O3S/c20-16(9-12-10-18-17(23)19-11-12)22-15-7-2-1-5-13(15)14-6-3-4-8-21-14/h1-2,5,7,12,14H,3-4,6,8-11H2,(H2,18,19,23)