[(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: [(2S)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid [(2S)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [(1S)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H17N3O5S MolecularWeight: 435.45248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O5S/c1-12(20(27)24-21-15(19(23)26)9-10-31-21)29-22(28)14-7-8-17-16(11-14)18(30-25-17)13-5-3-2-4-6-13/h2-12H,1H3,(H2,23,26)(H,24,27)/t12-/m0/s1