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

Systemtic Name: 2-[[5-methyl-4-oxidanylidene-6-(2-thiophen-2-ylethanoylamino)-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-methyl-4-oxo-6-[[2-(2-thienyl)acetyl]amino]-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[5-methyl-4-oxo-6-[(1-oxo-2-thiophen-2-ylethyl)amino]-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-methyl-4-oxo-6-[(2-thiophen-2-ylacetyl)amino]-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-keto-5-methyl-6-[[2-(2-thienyl)acetyl]amino]-3,1-benzoxazin-2-yl]amino]-3-phenyl-propionic acid Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CS4

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C24H21N3O5S/c1-14-17(25-20(28)13-16-8-5-11-33-16)9-10-18-21(14)23(31)32-24(26-18)27-19(22(29)30)12-15-6-3-2-4-7-15/h2-11,19H,12-13H2,1H3,(H,25,28)(H,26,27)(H,29,30)