ethyl 2,5-dimethyl-4-[2-[2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoyloxy]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoyloxy]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetyl]oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[1-oxo-2-[(7-oxo-3-benzo[a]phenalenyl)thio]ethoxy]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetyl]oxyacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C30H25NO6S MolecularWeight: 527.5876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O)C)C

InChI

InChI=1S/C30H25NO6S/c1-4-36-30(35)27-17(3)31-16(2)26(27)23(32)14-37-25(33)15-38-24-13-12-19-18-8-5-6-9-20(18)29(34)22-11-7-10-21(24)28(19)22/h5-13,31H,4,14-15H2,1-3H3