2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethyl 3-methylbenzoate

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]ethyl 3-methylbenzoate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]ethyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]ethyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]ethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCCN(C)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCCN(C)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H18N2O4S/c1-13-6-5-7-14(12-13)18(21)24-11-10-20(2)17-15-8-3-4-9-16(15)25(22,23)19-17/h3-9,12H,10-11H2,1-2H3