2-[5-[(Z)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanesulfonate

Systemtic Name: 2-[5-[(Z)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanesulfonate Openeye Name: 2-[5-[(Z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanesulfonate CAS Name: 2-[5-[(Z)-(3-ethyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanesulfonate IUPAC Name: 2-[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanesulfonate Traditional Name: 2-[5-[(Z)-(3-ethyl-5-keto-4-methyl-3-pyrrolin-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanesulfonate Formula: C16H21N2O4S- MolecularWeight: 337.41394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)NC1=CC2=C(C(=C(N2)C)CCS(=O)(=O)[O-])C)C

Isomeric SMILES

CCC\1=C(C(=O)N/C1=C\C2=C(C(=C(N2)C)CCS(=O)(=O)[O-])C)C

InChI

InChI=1S/C16H22N2O4S/c1-5-12-10(3)16(19)18-15(12)8-14-9(2)13(11(4)17-14)6-7-23(20,21)22/h8,17H,5-7H2,1-4H3,(H,18,19)(H,20,21,22)/p-1/b15-8-