2-[[6-[(3-cyanophenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate

Systemtic Name: 2-[[6-[(3-cyanophenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[6-[(3-cyanobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[6-[[(3-cyanophenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]ethyl ester IUPAC Name: 2-[[6-[(3-cyanobenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[6-[(3-cyanobenzoyl)amino]-1,3-benzothiazol-2-yl]thio]ethyl ester Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(=O)OCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H15N3O3S2/c1-12(23)25-7-8-26-19-22-16-6-5-15(10-17(16)27-19)21-18(24)14-4-2-3-13(9-14)11-20/h2-6,9-10H,7-8H2,1H3,(H,21,24)