ethyl 2-[[6-[(3,4-dimethoxyphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[6-[(3,4-dimethoxyphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[6-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-(veratroylamino)-1,3-benzothiazol-2-yl]thio]acetic acid ethyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S2/c1-4-27-18(23)11-28-20-22-14-7-6-13(10-17(14)29-20)21-19(24)12-5-8-15(25-2)16(9-12)26-3/h5-10H,4,11H2,1-3H3,(H,21,24)