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

Systemtic Name: methyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]benzoate Openeye Name: methyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]benzoate CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]benzoate Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)butanoylamino]benzoic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S/c1-24-19(23)13-9-11-14(12-10-13)20-17(22)7-4-8-18-21-15-5-2-3-6-16(15)25-18/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,20,22)