2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C

InChI

InChI=1S/C18H20N2O4S/c1-4-9-19-12(2)10-15(13(19)3)16(21)11-20-18(22)14-7-5-6-8-17(14)25(20,23)24/h5-8,10H,4,9,11H2,1-3H3