methyl 3-[2-(1,3-benzothiazol-2-yl)propanoylamino]-4-octoxy-benzoate

Systemtic Name: methyl 3-[2-(1,3-benzothiazol-2-yl)propanoylamino]-4-octoxy-benzoate Openeye Name: methyl 3-[2-(1,3-benzothiazol-2-yl)propanoylamino]-4-octoxy-benzoate CAS Name: 3-[[2-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-4-octoxybenzoic acid methyl ester IUPAC Name: methyl 3-[2-(1,3-benzothiazol-2-yl)propanoylamino]-4-octoxybenzoate Traditional Name: 3-[2-(1,3-benzothiazol-2-yl)propanoylamino]-4-octoxy-benzoic acid methyl ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C26H32N2O4S/c1-4-5-6-7-8-11-16-32-22-15-14-19(26(30)31-3)17-21(22)27-24(29)18(2)25-28-20-12-9-10-13-23(20)33-25/h9-10,12-15,17-18H,4-8,11,16H2,1-3H3,(H,27,29)