ethyl 4-(4-oxidanylidenethiochromen-3-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-oxidanylidenethiochromen-3-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-oxothiochromen-3-yl)piperazine-1-carboxylate CAS Name: 4-(4-oxo-1-benzothiopyran-3-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-oxothiochromen-3-yl)piperazine-1-carboxylate Traditional Name: 4-(4-ketothiochromen-3-yl)piperazine-1-carboxylic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CSC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CSC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H18N2O3S/c1-2-21-16(20)18-9-7-17(8-10-18)13-11-22-14-6-4-3-5-12(14)15(13)19/h3-6,11H,2,7-10H2,1H3