1,3-benzothiazol-2-ylmethyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C18H13N3O3S/c19-10-9-16(22)20-13-7-5-12(6-8-13)18(23)24-11-17-21-14-3-1-2-4-15(14)25-17/h1-8H,9,11H2,(H,20,22)