1-[1-[1,1-bis(oxidanylidene)thian-4-yl]-2,5-dimethyl-pyrrol-3-yl]-2-chloranyl-ethanone

Systemtic Name: 1-[1-[1,1-bis(oxidanylidene)thian-4-yl]-2,5-dimethyl-pyrrol-3-yl]-2-chloranyl-ethanone Openeye Name: 2-chloro-1-[1-(1,1-dioxothian-4-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-chloro-1-[1-(1,1-dioxo-4-thianyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-chloro-1-[1-(1,1-dioxothian-4-yl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-chloro-1-[1-(1,1-diketothian-4-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C13H18ClNO3S MolecularWeight: 303.80492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCS(=O)(=O)CC2)C)C(=O)CCl

Isomeric SMILES

CC1=CC(=C(N1C2CCS(=O)(=O)CC2)C)C(=O)CCl

InChI

InChI=1S/C13H18ClNO3S/c1-9-7-12(13(16)8-14)10(2)15(9)11-3-5-19(17,18)6-4-11/h7,11H,3-6,8H2,1-2H3