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

Systemtic Name: methyl (2S)-2-[[5-methyl-4-oxidanylidene-6-(2-thiophen-2-ylethylcarbamoylamino)-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[5-methyl-4-oxo-6-[2-(2-thienyl)ethylcarbamoylamino]-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[5-methyl-4-oxo-6-[[oxo-(2-thiophen-2-ylethylamino)methyl]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-ylethylcarbamoylamino)-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-keto-5-methyl-6-[2-(2-thienyl)ethylcarbamoylamino]-3,1-benzoxazin-2-yl]amino]-3-phenyl-propionic acid methyl ester Formula: C26H26N4O5S MolecularWeight: 506.57344

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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)NCCC4=CC=CS4

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](CC3=CC=CC=C3)C(=O)OC)NC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C26H26N4O5S/c1-16-19(28-25(33)27-13-12-18-9-6-14-36-18)10-11-20-22(16)24(32)35-26(29-20)30-21(23(31)34-2)15-17-7-4-3-5-8-17/h3-11,14,21H,12-13,15H2,1-2H3,(H,29,30)(H2,27,28,33)/t21-/m0/s1