2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butyl 4-methylbenzoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butyl 4-methylbenzoate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]butyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=C(C=C1)C)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCC(COC(=O)C1=CC=C(C=C1)C)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H20N2O4S/c1-3-15(12-25-19(22)14-10-8-13(2)9-11-14)20-18-16-6-4-5-7-17(16)26(23,24)21-18/h4-11,15H,3,12H2,1-2H3,(H,20,21)