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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]sulfanyl]ethyl 3-methylbenzoate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]ethyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)thio]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)sulfanyl]ethyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)thio]ethyl ester Formula: C17H15NO4S2 MolecularWeight: 361.4353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCCSC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCCSC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H15NO4S2/c1-12-5-4-6-13(11-12)17(19)22-9-10-23-16-14-7-2-3-8-15(14)24(20,21)18-16/h2-8,11H,9-10H2,1H3