methyl 2-azanyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-(4-methylsulfanylphenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: methyl 2-amino-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-[4-(methylthio)phenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(4-methylsulfanylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-5-keto-4-[4-(methylthio)phenyl]-4,6,7,8-tetrahydrochromene-3-carboxylic acid methyl ester Formula: C18H19NO4S MolecularWeight: 345.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)SC)C(=O)CCC2)N

Isomeric SMILES

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)SC)C(=O)CCC2)N

InChI

InChI=1S/C18H19NO4S/c1-22-18(21)16-14(10-6-8-11(24-2)9-7-10)15-12(20)4-3-5-13(15)23-17(16)19/h6-9,14H,3-5,19H2,1-2H3