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

Systemtic Name: methyl (2S)-2-[[5-methyl-4-oxidanylidene-6-(2-thiophen-2-ylethanoylamino)-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[5-methyl-4-oxo-6-[[2-(2-thienyl)acetyl]amino]-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[5-methyl-4-oxo-6-[(1-oxo-2-thiophen-2-ylethyl)amino]-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-methyl-4-oxo-6-[(2-thiophen-2-ylacetyl)amino]-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-keto-5-methyl-6-[[2-(2-thienyl)acetyl]amino]-3,1-benzoxazin-2-yl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](CC3=CC=CC=C3)C(=O)OC)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C25H23N3O5S/c1-15-18(26-21(29)14-17-9-6-12-34-17)10-11-19-22(15)24(31)33-25(27-19)28-20(23(30)32-2)13-16-7-4-3-5-8-16/h3-12,20H,13-14H2,1-2H3,(H,26,29)(H,27,28)/t20-/m0/s1