N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-3-sulfanylidene-propanamide

Systemtic Name: N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)-3-sulfanylidene-propanamide Openeye Name: N-(4-chloro-1-oxo-3-propoxy-isochromen-7-yl)-3-thioxo-propanamide CAS Name: N-(4-chloro-1-oxo-3-propoxy-2-benzopyran-7-yl)-3-sulfanylidenepropanamide IUPAC Name: N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-sulfanylidenepropanamide Traditional Name: N-(4-chloro-1-keto-3-propoxy-isochromen-7-yl)-3-thioxo-propionamide Formula: C15H14ClNO4S MolecularWeight: 339.79396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C(C=C2)NC(=O)CC=S)C(=O)O1)Cl

Isomeric SMILES

CCCOC1=C(C2=C(C=C(C=C2)NC(=O)CC=S)C(=O)O1)Cl

InChI

InChI=1S/C15H14ClNO4S/c1-2-6-20-15-13(16)10-4-3-9(17-12(18)5-7-22)8-11(10)14(19)21-15/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)