(4-aminocarbonylphenyl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (4-aminocarbonylphenyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (4-carbamoylphenyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (4-carbamoylphenyl) ester IUPAC Name: (4-carbamoylphenyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (4-carbamoylphenyl) ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C17H14N2O3S/c18-17(21)11-5-7-12(8-6-11)22-16(20)10-9-15-19-13-3-1-2-4-14(13)23-15/h1-8H,9-10H2,(H2,18,21)