[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H25NO4S/c29-24(28-14-5-1-2-6-15-28)16-32-25(30)17-33-23-13-12-19-18-8-3-4-9-20(18)27(31)22-11-7-10-21(23)26(19)22/h3-4,7-13H,1-2,5-6,14-17H2