ethyl 3-[(7-azanyl-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]-3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: ethyl 3-[(7-azanyl-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-2-yl)carbonylamino]-3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: ethyl 3-[(7-amino-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]-3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[[(7-amino-2-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)-oxomethyl]amino]-3-[(4-methylphenyl)sulfonylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(7-amino-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carbonyl)amino]-3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(7-amino-3-keto-2-methyl-4H-1,4-benzoxazine-2-carbonyl)amino]-3-(tosylamino)propionic acid ethyl ester Formula: C22H26N4O7S MolecularWeight: 490.52944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(NC(=O)C1(C(=O)NC2=C(O1)C=C(C=C2)N)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CC(NC(=O)C1(C(=O)NC2=C(O1)C=C(C=C2)N)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N4O7S/c1-4-32-19(27)12-18(26-34(30,31)15-8-5-13(2)6-9-15)25-21(29)22(3)20(28)24-16-10-7-14(23)11-17(16)33-22/h5-11,18,26H,4,12,23H2,1-3H3,(H,24,28)(H,25,29)