methyl 2-(1,3-benzothiazol-2-ylsulfonylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl 2-(1,3-benzothiazol-2-ylsulfonylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl 2-(1,3-benzothiazol-2-ylsulfonylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: 2-(1,3-benzothiazol-2-ylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazol-2-ylsulfonylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-(1,3-benzothiazol-2-ylsulfonylamino)-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C17H16N2O5S2 MolecularWeight: 392.44934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NS(=O)(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)O)NS(=O)(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16N2O5S2/c1-24-16(21)14(10-11-6-8-12(20)9-7-11)19-26(22,23)17-18-13-4-2-3-5-15(13)25-17/h2-9,14,19-20H,10H2,1H3