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

Systemtic Name: methyl 4-[2-[4-(1,3-benzothiazol-2-yl)butanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[4-(1,3-benzothiazol-2-yl)butanoylamino]ethyl]benzoate CAS Name: 4-[2-[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(1,3-benzothiazol-2-yl)butanoylamino]ethyl]benzoate Traditional Name: 4-[2-[4-(1,3-benzothiazol-2-yl)butanoylamino]ethyl]benzoic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-26-21(25)16-11-9-15(10-12-16)13-14-22-19(24)7-4-8-20-23-17-5-2-3-6-18(17)27-20/h2-3,5-6,9-12H,4,7-8,13-14H2,1H3,(H,22,24)