ethyl 3-hex-5-en-3-ylsulfanyl-8-oxidanylidene-acenaphthyleno[1,2-b]pyrrole-9-carboxylate

Systemtic Name: ethyl 3-hex-5-en-3-ylsulfanyl-8-oxidanylidene-acenaphthyleno[1,2-b]pyrrole-9-carboxylate Openeye Name: ethyl 3-(1-ethylbut-3-enylsulfanyl)-8-oxo-acenaphthyleno[1,2-b]pyrrole-9-carboxylate CAS Name: 3-(hex-5-en-3-ylthio)-8-oxo-9-acenaphthyleno[1,2-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-hex-5-en-3-ylsulfanyl-8-oxoacenaphthyleno[1,2-b]pyrrole-9-carboxylate Traditional Name: 3-(1-ethylbut-3-enylthio)-8-keto-acenaphtho[1,2-b]pyrrole-9-carboxylic acid ethyl ester Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=C)SC1=C2C=CC=C3C2=C(C=C1)C4=C(C(=O)N=C34)C(=O)OCC

Isomeric SMILES

CCC(CC=C)SC1=C2C=CC=C3C2=C(C=C1)C4=C(C(=O)N=C34)C(=O)OCC

InChI

InChI=1S/C23H21NO3S/c1-4-8-13(5-2)28-17-12-11-15-18-14(17)9-7-10-16(18)21-19(15)20(22(25)24-21)23(26)27-6-3/h4,7,9-13H,1,5-6,8H2,2-3H3