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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCCCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H18N2O4S/c1-13-7-2-3-8-14(13)18(21)24-12-6-11-19-17-15-9-4-5-10-16(15)25(22,23)20-17/h2-5,7-10H,6,11-12H2,1H3,(H,19,20)