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

Systemtic Name: methyl 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]benzoate Openeye Name: methyl 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]benzoate CAS Name: 3-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]benzoate Traditional Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]benzoic acid methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N2O3S/c1-23-18(22)12-5-4-6-13(11-12)19-16(21)9-10-17-20-14-7-2-3-8-15(14)24-17/h2-8,11H,9-10H2,1H3,(H,19,21)