1,3-benzothiazol-2-ylmethyl 2-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[3-(4-methoxyphenyl)prop-2-enoylamino]benzoate Traditional Name: 2-[[3-(4-methoxyphenyl)acryloyl]amino]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H20N2O4S/c1-30-18-13-10-17(11-14-18)12-15-23(28)26-20-7-3-2-6-19(20)25(29)31-16-24-27-21-8-4-5-9-22(21)32-24/h2-15H,16H2,1H3,(H,26,28)