[4-(methylcarbamoyl)phenyl] 2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoate

Systemtic Name: [4-(methylcarbamoyl)phenyl] 2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoate Openeye Name: [4-(methylcarbamoyl)phenyl] 2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)acetic acid [4-(methylcarbamoyl)phenyl] ester IUPAC Name: [4-(methylcarbamoyl)phenyl] 2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)acetic acid [4-(methylcarbamoyl)phenyl] ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)OC(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)OC(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N2O3S2/c1-19-18(22)12-6-8-13(9-7-12)23-17(21)11-24-10-16-20-14-4-2-3-5-15(14)25-16/h2-9H,10-11H2,1H3,(H,19,22)