[2-[3-(4-oxidanylthian-4-yl)prop-2-ynoxy]-4-(pyrrolidin-1-ylmethyl)phenyl] N-methylcarbamate

Systemtic Name: [2-[3-(4-oxidanylthian-4-yl)prop-2-ynoxy]-4-(pyrrolidin-1-ylmethyl)phenyl] N-methylcarbamate Openeye Name: [2-[3-(4-hydroxytetrahydrothiopyran-4-yl)prop-2-ynoxy]-4-(pyrrolidin-1-ylmethyl)phenyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [2-[3-(4-hydroxy-4-thianyl)prop-2-ynoxy]-4-(1-pyrrolidinylmethyl)phenyl] ester IUPAC Name: [2-[3-(4-hydroxythian-4-yl)prop-2-ynoxy]-4-(pyrrolidin-1-ylmethyl)phenyl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [2-[3-(4-hydroxytetrahydrothiopyran-4-yl)prop-2-ynoxy]-4-(pyrrolidinomethyl)phenyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1=C(C=C(C=C1)CN2CCCC2)OCC#CC3(CCSCC3)O

Isomeric SMILES

CNC(=O)OC1=C(C=C(C=C1)CN2CCCC2)OCC#CC3(CCSCC3)O

InChI

InChI=1S/C21H28N2O4S/c1-22-20(24)27-18-6-5-17(16-23-10-2-3-11-23)15-19(18)26-12-4-7-21(25)8-13-28-14-9-21/h5-6,15,25H,2-3,8-14,16H2,1H3,(H,22,24)