3-iodanylprop-2-ynyl N-butylcarbamate; 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one; 2-phenoxyethanol

Systemtic Name: 3-iodanylprop-2-ynyl N-butylcarbamate; 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one; 2-phenoxyethanol Openeye Name: 3-iodoprop-2-ynyl N-butylcarbamate; 2-methyl-5,6-dihydro-4H-cyclopenta[d]isothiazol-3-one; 2-phenoxyethanol CAS Name: N-butylcarbamic acid 3-iodoprop-2-ynyl ester; 2-methyl-5,6-dihydro-4H-cyclopenta[d]isothiazol-3-one; 2-phenoxyethanol IUPAC Name: 3-iodoprop-2-ynyl N-butylcarbamate; 2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one; 2-phenoxyethanol Traditional Name: N-butylcarbamic acid 3-iodoprop-2-ynyl ester; 2-methyl-5,6-dihydro-4H-cyclopent[d]isothiazol-3-one; 2-phenoxyethanol Formula: C23H31IN2O5S MolecularWeight: 574.47211

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OCC#CI.CN1C(=O)C2=C(S1)CCC2.C1=CC=C(C=C1)OCCO

Isomeric SMILES

CCCCNC(=O)OCC#CI.CN1C(=O)C2=C(S1)CCC2.C1=CC=C(C=C1)OCCO

InChI

InChI=1S/C8H12INO2.C8H10O2.C7H9NOS/c1-2-3-6-10-8(11)12-7-4-5-9;9-6-7-10-8-4-2-1-3-5-8;1-8-7(9)5-3-2-4-6(5)10-8/h2-3,6-7H2,1H3,(H,10,11);1-5,9H,6-7H2;2-4H2,1H3