methyl 3-oxidanylidene-3-[(9-oxidanylidenethioxanthen-2-yl)amino]propanoate

Systemtic Name: methyl 3-oxidanylidene-3-[(9-oxidanylidenethioxanthen-2-yl)amino]propanoate Openeye Name: methyl 3-oxo-3-[(9-oxothioxanthen-2-yl)amino]propanoate CAS Name: 3-oxo-3-[(9-oxo-2-thioxanthenyl)amino]propanoic acid methyl ester IUPAC Name: methyl 3-oxo-3-[(9-oxothioxanthen-2-yl)amino]propanoate Traditional Name: 3-keto-3-[(9-ketothioxanthen-2-yl)amino]propionic acid methyl ester Formula: C17H13NO4S MolecularWeight: 327.35442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)CC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C17H13NO4S/c1-22-16(20)9-15(19)18-10-6-7-14-12(8-10)17(21)11-4-2-3-5-13(11)23-14/h2-8H,9H2,1H3,(H,18,19)