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

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [2-[(3-cyano-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 [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H15N3O4S MolecularWeight: 417.4372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O4S/c1-13(20(26)24-21-16(12-23)9-10-30-21)28-22(27)15-7-8-18-17(11-15)19(29-25-18)14-5-3-2-4-6-14/h2-11,13H,1H3,(H,24,26)