[7-(1,3-benzothiazol-2-yl)heptanoylamino] benzoate

Systemtic Name: [7-(1,3-benzothiazol-2-yl)heptanoylamino] benzoate Openeye Name: [7-(1,3-benzothiazol-2-yl)heptanoylamino] benzoate CAS Name: benzoic acid [[7-(1,3-benzothiazol-2-yl)-1-oxoheptyl]amino] ester IUPAC Name: [7-(1,3-benzothiazol-2-yl)heptanoylamino] benzoate Traditional Name: benzoic acid [7-(1,3-benzothiazol-2-yl)heptanoylamino] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)ONC(=O)CCCCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)ONC(=O)CCCCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c24-19(23-26-21(25)16-10-4-3-5-11-16)14-6-1-2-7-15-20-22-17-12-8-9-13-18(17)27-20/h3-5,8-13H,1-2,6-7,14-15H2,(H,23,24)