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

Systemtic Name: methyl (4S)-2-azanyl-5-oxidanylidene-4-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: methyl (4S)-2-amino-5-oxo-4-(2-thienyl)-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: (4S)-2-amino-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-amino-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-4-(2-thienyl)-4,6,7,8-tetrahydrochromene-3-carboxylic acid methyl ester Formula: C15H15NO4S MolecularWeight: 305.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C3=CC=CS3)C(=O)CCC2)N

Isomeric SMILES

COC(=O)C1=C(OC2=C([C@@H]1C3=CC=CS3)C(=O)CCC2)N

InChI

InChI=1S/C15H15NO4S/c1-19-15(18)13-12(10-6-3-7-21-10)11-8(17)4-2-5-9(11)20-14(13)16/h3,6-7,12H,2,4-5,16H2,1H3/t12-/m0/s1