ethyl 2-[[6-(3-phenylprop-2-enoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[6-(3-phenylprop-2-enoylamino)-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[6-(3-phenylprop-2-enoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[(1-oxo-3-phenylprop-2-enyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3-phenylprop-2-enoylamino)-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[(6-cinnamamido-1,3-benzothiazol-2-yl)thio]acetic acid ethyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S2/c1-2-25-19(24)13-26-20-22-16-10-9-15(12-17(16)27-20)21-18(23)11-8-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,21,23)