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

Systemtic Name: ethyl 2-[[6-[(4-ethoxyphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[6-[(4-ethoxybenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[(4-ethoxyphenyl)-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-[(4-ethoxybenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(4-ethoxybenzoyl)amino]-1,3-benzothiazol-2-yl]thio]acetic acid ethyl ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OCC

InChI

InChI=1S/C20H20N2O4S2/c1-3-25-15-8-5-13(6-9-15)19(24)21-14-7-10-16-17(11-14)28-20(22-16)27-12-18(23)26-4-2/h5-11H,3-4,12H2,1-2H3,(H,21,24)