ethyl 2-[2-(phenylmethylsulfanyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(phenylmethylsulfanyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylsulfanylacetyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC3=CC=CC=C3

InChI

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