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

Systemtic Name: methyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]benzoate CAS Name: 4-[[3-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]benzoate Traditional Name: 4-[3-(1,3-benzothiazol-2-ylthio)propanoylamino]benzoic acid methyl ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N2O3S2/c1-23-17(22)12-6-8-13(9-7-12)19-16(21)10-11-24-18-20-14-4-2-3-5-15(14)25-18/h2-9H,10-11H2,1H3,(H,19,21)