methyl 3-[(6-azanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-7-yl)sulfanyl]propanoate

Systemtic Name: methyl 3-[(6-azanyl-2-oxidanylidene-3,4-dihydro-1H-quinolin-7-yl)sulfanyl]propanoate Openeye Name: methyl 3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfanyl]propanoate CAS Name: 3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)sulfanyl]propanoate Traditional Name: 3-[(6-amino-2-keto-3,4-dihydro-1H-quinolin-7-yl)thio]propionic acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C2CCC(=O)NC2=C1)N

Isomeric SMILES

COC(=O)CCSC1=C(C=C2CCC(=O)NC2=C1)N

InChI

InChI=1S/C13H16N2O3S/c1-18-13(17)4-5-19-11-7-10-8(6-9(11)14)2-3-12(16)15-10/h6-7H,2-5,14H2,1H3,(H,15,16)