[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl N-[(3-ethoxythiophen-2-yl)carbonylamino]carbamate

Systemtic Name: [4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl N-[(3-ethoxythiophen-2-yl)carbonylamino]carbamate Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl N-[(3-ethoxythiophene-2-carbonyl)amino]carbamate CAS Name: N-[[(3-ethoxy-2-thiophenyl)-oxomethyl]amino]carbamic acid [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl ester IUPAC Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl N-[(3-ethoxythiophene-2-carbonyl)amino]carbamate Traditional Name: N-[(3-ethoxythiophene-2-carbonyl)amino]carbamic acid [4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC=C1)C(=O)NNC(=O)OCC2=CC=C(C=C2)C#CC(C)(C)O

Isomeric SMILES

CCOC1=C(SC=C1)C(=O)NNC(=O)OCC2=CC=C(C=C2)C#CC(C)(C)O

InChI

InChI=1S/C20H22N2O5S/c1-4-26-16-10-12-28-17(16)18(23)21-22-19(24)27-13-15-7-5-14(6-8-15)9-11-20(2,3)25/h5-8,10,12,25H,4,13H2,1-3H3,(H,21,23)(H,22,24)