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

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C18H18N2O4S/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/h4-8,10H,1,9,11H2,2-3H3