2-azanyl-3-[[[7-(dimethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]carbonylamino]methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[[7-(dimethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]carbonylamino]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[[7-(dimethylamino)-4-methyl-2-oxo-chromene-3-carbonyl]amino]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[[[7-(dimethylamino)-4-methyl-2-oxo-1-benzopyran-3-yl]-oxomethyl]amino]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[[7-(dimethylamino)-4-methyl-2-oxochromene-3-carbonyl]amino]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[[7-(dimethylamino)-2-keto-4-methyl-chromene-3-carbonyl]amino]methylthio]propionic acid Formula: C17H21N3O5S MolecularWeight: 379.43074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)N(C)C)C(=O)NCSCC(C(=O)O)N

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)N(C)C)C(=O)NCSCC(C(=O)O)N

InChI

InChI=1S/C17H21N3O5S/c1-9-11-5-4-10(20(2)3)6-13(11)25-17(24)14(9)15(21)19-8-26-7-12(18)16(22)23/h4-6,12H,7-8,18H2,1-3H3,(H,19,21)(H,22,23)