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

Systemtic Name: methyl 3-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]amino]-4-methyl-benzoic acid methyl ester Formula: C19H16N2O3S MolecularWeight: 352.40694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H16N2O3S/c1-12-7-8-13(19(23)24-2)11-15(12)20-17(22)9-10-18-21-14-5-3-4-6-16(14)25-18/h3-11H,1-2H3,(H,20,22)/b10-9+