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

Systemtic Name: methyl 4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzoate Openeye Name: methyl 4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzoate CAS Name: 4-[[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]benzoate Traditional Name: 4-[4-(1,3-benzothiazol-2-ylthio)butanoylamino]benzoic acid methyl ester Formula: C19H18N2O3S2 MolecularWeight: 386.48782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S2/c1-24-18(23)13-8-10-14(11-9-13)20-17(22)7-4-12-25-19-21-15-5-2-3-6-16(15)26-19/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,20,22)