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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(CC3=CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CS4

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(CC3=CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CS4

InChI

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