[6-chloranyl-4-(chloromethyl)-2-oxidanylidene-chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [6-chloranyl-4-(chloromethyl)-2-oxidanylidene-chromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [6-chloro-4-(chloromethyl)-2-oxo-chromen-7-yl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [6-chloro-4-(chloromethyl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [6-chloro-4-(chloromethyl)-2-oxochromen-7-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [6-chloro-4-(chloromethyl)-2-keto-chromen-7-yl] ester Formula: C20H17Cl2NO6S MolecularWeight: 470.32308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)CCl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)CCl)Cl

InChI

InChI=1S/C20H17Cl2NO6S/c1-12-2-4-14(5-3-12)30(26,27)23-7-6-19(24)29-18-10-17-15(9-16(18)22)13(11-21)8-20(25)28-17/h2-5,8-10,23H,6-7,11H2,1H3