methyl 2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C=CC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)/C=C/C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C20H18N2O5S/c1-25-15-10-12(20(24)27-3)14(11-16(15)26-2)21-18(23)8-9-19-22-13-6-4-5-7-17(13)28-19/h4-11H,1-3H3,(H,21,23)/b9-8+