methyl 5-[[4-(1,3-benzothiazol-2-yl)butanoyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[4-(1,3-benzothiazol-2-yl)butanoyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(1,3-benzothiazol-2-yl)butanoyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]-methylamino]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1,3-benzothiazol-2-yl)butanoyl-methylamino]methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[4-(1,3-benzothiazol-2-yl)butanoyl-methyl-amino]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN(C)C(=O)CCCC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CN(C)C(=O)CCCC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-13-15(20(24)25-3)11-14(26-13)12-22(2)19(23)10-6-9-18-21-16-7-4-5-8-17(16)27-18/h4-5,7-8,11H,6,9-10,12H2,1-3H3