2-[[5-methyl-4-oxidanylidene-6-(2-thiophen-2-ylethylcarbamoylamino)-3,1-benzoxazin-2-yl]amino]propanoic acid

Systemtic Name: 2-[[5-methyl-4-oxidanylidene-6-(2-thiophen-2-ylethylcarbamoylamino)-3,1-benzoxazin-2-yl]amino]propanoic acid Openeye Name: 2-[[5-methyl-4-oxo-6-[2-(2-thienyl)ethylcarbamoylamino]-3,1-benzoxazin-2-yl]amino]propanoic acid CAS Name: 2-[[5-methyl-4-oxo-6-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]-3,1-benzoxazin-2-yl]amino]propanoic acid IUPAC Name: 2-[[5-methyl-4-oxo-6-(2-thiophen-2-ylethylcarbamoylamino)-3,1-benzoxazin-2-yl]amino]propanoic acid Traditional Name: 2-[[4-keto-5-methyl-6-[2-(2-thienyl)ethylcarbamoylamino]-3,1-benzoxazin-2-yl]amino]propionic acid Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)C(=O)O)NC(=O)NCCC3=CC=CS3

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)C(=O)O)NC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C19H20N4O5S/c1-10-13(22-18(27)20-8-7-12-4-3-9-29-12)5-6-14-15(10)17(26)28-19(23-14)21-11(2)16(24)25/h3-6,9,11H,7-8H2,1-2H3,(H,21,23)(H,24,25)(H2,20,22,27)