ethanoic acid; [(2E)-2-(7-methoxy-2,3-dihydrochromen-4-ylidene)ethyl] carbamimidothioate

Systemtic Name: ethanoic acid; [(2E)-2-(7-methoxy-2,3-dihydrochromen-4-ylidene)ethyl] carbamimidothioate Openeye Name: acetic acid; 2-[(2E)-2-(7-methoxychroman-4-ylidene)ethyl]isothiourea CAS Name: acetic acid; carbamimidothioic acid [(2E)-2-(7-methoxy-3,4-dihydro-2H-1-benzopyran-4-ylidene)ethyl] ester IUPAC Name: acetic acid; [(2E)-2-(7-methoxy-2,3-dihydrochromen-4-ylidene)ethyl] carbamimidothioate Traditional Name: acetic acid; 2-[(2E)-2-(7-methoxychroman-4-ylidene)ethyl]isothiourea Formula: C15H20N2O4S MolecularWeight: 324.3953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=CC2=C(C=C1)C(=CCSC(=N)N)CCO2

Isomeric SMILES

CC(=O)O.COC1=CC2=C(C=C1)/C(=C/CSC(=N)N)/CCO2

InChI

InChI=1S/C13H16N2O2S.C2H4O2/c1-16-10-2-3-11-9(5-7-18-13(14)15)4-6-17-12(11)8-10;1-2(3)4/h2-3,5,8H,4,6-7H2,1H3,(H3,14,15);1H3,(H,3,4)/b9-5+;