ethyl 4-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]benzoic acid ethyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S2/c1-2-24-19(23)13-7-9-14(10-8-13)20-17(22)11-25-12-18-21-15-5-3-4-6-16(15)26-18/h3-10H,2,11-12H2,1H3,(H,20,22)