[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] octanoate

Systemtic Name: [4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] octanoate Openeye Name: [4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] octanoate CAS Name: octanoic acid [4-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] octanoate Traditional Name: caprylic acid [4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C

InChI

InChI=1S/C23H26N2O3S/c1-3-4-5-6-7-8-21(26)28-18-12-10-17(11-13-18)22(27)25-23-24-19-14-9-16(2)15-20(19)29-23/h9-15H,3-8H2,1-2H3,(H,24,25,27)