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

Systemtic Name: 2-thiophen-2-ylethyl 2-[(aminocarbonylamino)-(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]-3-phenyl-propanoate Openeye Name: 2-(2-thienyl)ethyl 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-ureido-amino]-3-phenyl-propanoate CAS Name: 2-[(carbamoylamino)-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-3-phenylpropanoic acid 2-thiophen-2-ylethyl ester IUPAC Name: 2-thiophen-2-ylethyl 2-[(carbamoylamino)-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-3-phenylpropanoate Traditional Name: 2-[(4-keto-5-methyl-3,1-benzoxazin-2-yl)-ureido-amino]-3-phenyl-propionic acid 2-(2-thienyl)ethyl ester Formula: C25H24N4O5S MolecularWeight: 492.54686

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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)OCCC4=CC=CS4)NC(=O)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(CC3=CC=CC=C3)C(=O)OCCC4=CC=CS4)NC(=O)N

InChI

InChI=1S/C25H24N4O5S/c1-16-7-5-11-19-21(16)23(31)34-25(27-19)29(28-24(26)32)20(15-17-8-3-2-4-9-17)22(30)33-13-12-18-10-6-14-35-18/h2-11,14,20H,12-13,15H2,1H3,(H3,26,28,32)