methyl 4-[2-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H16N2O5S/c1-26-20(25)13-6-8-14(9-7-13)21-17(23)12-27-19(24)11-10-18-22-15-4-2-3-5-16(15)28-18/h2-11H,12H2,1H3,(H,21,23)/b11-10+