[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl] octanoate

Systemtic Name: [4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl] octanoate Openeye Name: [4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl] octanoate CAS Name: octanoic acid [4-[(1,3-benzothiazol-2-ylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl] octanoate Traditional Name: caprylic acid [4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O3S/c1-2-3-4-5-6-11-20(25)27-17-14-12-16(13-15-17)21(26)24-22-23-18-9-7-8-10-19(18)28-22/h7-10,12-15H,2-6,11H2,1H3,(H,23,24,26)