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

Systemtic Name: methyl 2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-(2-thiophen-2-ylethanoylamino)amino]-3-phenyl-propanoate Openeye Name: methyl 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[[2-(2-thienyl)acetyl]amino]amino]-3-phenyl-propanoate CAS Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[(1-oxo-2-thiophen-2-ylethyl)amino]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-[(2-thiophen-2-ylacetyl)amino]amino]-3-phenylpropanoate Traditional Name: 2-[(4-keto-5-methyl-3,1-benzoxazin-2-yl)-[[2-(2-thienyl)acetyl]amino]amino]-3-phenyl-propionic acid methyl ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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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)OC)NC(=O)CC4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O5S/c1-16-8-6-12-19-22(16)24(31)33-25(26-19)28(27-21(29)15-18-11-7-13-34-18)20(23(30)32-2)14-17-9-4-3-5-10-17/h3-13,20H,14-15H2,1-2H3,(H,27,29)